<?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-KIMIK2066</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000144892</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">21-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="Cl"
                        id="a1"
                        x3="2.2408"
                        y3="-2.5395"
                        z3="-0.0132"/>
                  <atom elementType="P"
                        id="a2"
                        x3="0.2391"
                        y3="-2.2327"
                        z3="0.0132"/>
                  <atom elementType="Si"
                        id="a3"
                        x3="-1.8345"
                        y3="-0.0074"
                        z3="-0.0057"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="1.3398"
                        y3="0.8141"
                        z3="0.0090"/>
                  <atom elementType="C"
                        id="a5"
                        x3="0.0295"
                        y3="-0.5292"
                        z3="0.0200"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.1064"
                        y3="1.6532"
                        z3="0.8378"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-2.4401"
                        y3="0.0725"
                        z3="-1.7904"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-2.9721"
                        y3="-1.2344"
                        z3="0.8936"/>
                  <atom elementType="C"
                        id="a9"
                        x3="0.7335"
                        y3="2.3551"
                        z3="-0.9042"/>
                  <atom elementType="C"
                        id="a10"
                        x3="1.8040"
                        y3="1.2827"
                        z3="1.7803"/>
                  <atom elementType="C"
                        id="a11"
                        x3="2.9666"
                        y3="0.3656"
                        z3="-0.8404"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-1.9320"
                        y3="2.4842"
                        z3="0.1516"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.1464"
                        y3="1.7308"
                        z3="1.1716"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-1.4678"
                        y3="1.7670"
                        z3="1.7173"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-2.3401"
                        y3="-0.9034"
                        z3="-2.2746"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.4935"
                        y3="0.3660"
                        z3="-1.8220"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-1.8630"
                        y3="0.8027"
                        z3="-2.3640"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.9877"
                        y3="-2.2016"
                        z3="0.3835"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-2.6345"
                        y3="-1.3816"
                        z3="1.9236"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-3.9947"
                        y3="-0.8460"
                        z3="0.9173"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.1347"
                        y3="2.9939"
                        z3="-0.2526"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.5919"
                        y3="2.9514"
                        z3="-1.2302"/>
                  <atom elementType="H"
                        id="a23"
                        x3="0.1554"
                        y3="2.0914"
                        z3="-1.7932"/>
                  <atom elementType="H"
                        id="a24"
                        x3="0.9287"
                        y3="1.6432"
                        z3="2.3272"/>
                  <atom elementType="H"
                        id="a25"
                        x3="2.2100"
                        y3="0.4157"
                        z3="2.3095"/>
                  <atom elementType="H"
                        id="a26"
                        x3="2.5601"
                        y3="2.0732"
                        z3="1.7792"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.6348"
                        y3="-0.1882"
                        z3="-0.1765"/>
                  <atom elementType="H"
                        id="a28"
                        x3="2.7912"
                        y3="-0.2055"
                        z3="-1.7564"/>
                  <atom elementType="H"
                        id="a29"
                        x3="3.4954"
                        y3="1.2825"
                        z3="-1.1215"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a11 a27" order="S"/>
               </bondArray>
               <formula concise="C 7 H 18 Cl 1 P 1 Si 2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">206.6726609999999</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/C7H18ClPSi2/c1-10(2,3)7(9-8)11(4,5)6/h1-6H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,1,2,3,4/E:(1,2,3,4,5,6)(10,11)/CRV:7.3,9.2/rA:29ClP2SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:s1;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28491.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=000144892.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 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">000144892</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="29">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="29">35 31 28 28 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="29">34.9688527 30.9737634 27.9769284 27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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="29">3 1 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="29">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="28">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="28">1 2 3 3 3 3 4 4 4 4 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="28">2 5 5 6 7 8 5 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="28">2.0252 1.7164 1.9358 1.8823 1.8863 1.8996 1.8766 1.8911 1.8901 1.8892 1.0917 1.095 1.0928 1.094 1.094 1.0933 1.0936 1.0939 1.0941 1.0914 1.0949 1.0927 1.0933 1.0939 1.0939 1.0927 1.0936 1.0951</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="28">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="52">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="52">1 5 5 5 6 6 7 5 5 5 9 9 10 2 2 3 3 3 3 12 12 13 3 3 3 15 15 16 3 3 3 18 18 19 4 4 4 21 21 22 4 4 4 24 24 25 4 4 4 27 27 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="52">2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="52">5 6 7 8 7 8 8 9 10 11 10 11 11 3 4 4 12 13 14 13 14 14 15 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="52">105.7299 111.7739 109.4577 113.3441 109.8911 105.7355 106.4398 111.2403 110.0878 115.719 109.2235 104.6205 105.588 112.6477 128.6952 118.6403 111.5179 109.6529 111.5987 106.8212 109.4654 107.5951 110.5863 110.3545 110.8065 108.3341 108.3811 108.2968 111.0388 110.3573 109.918 108.9414 108.1033 108.4107 111.3792 109.6474 111.4589 106.8069 109.6759 107.6966 110.7274 110.3664 110.3634 108.4517 108.3979 108.4641 111.9458 111.251 109.4164 110.0183 106.5595 107.4379</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="52">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>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="68">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 D64 D65 D66 D67 D68</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="68">1 1 6 6 7 7 8 8 5 5 5 7 7 7 8 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 10 10 11 11 5 5 5 10 10 10 11 11 11 5 5 5 9 9 9 11 11 11 5 5 5 9 9 9 10 10 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="68">2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="68">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 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="68">3 4 2 4 2 4 2 4 12 13 14 12 13 14 12 13 14 15 16 17 15 16 17 15 16 17 18 19 20 18 19 20 18 19 20 2 3 2 3 2 3 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="68">178.369 -0.0999 151.3609 -30.0007 -86.6551 91.9833 31.9899 -149.3717 84.9293 -156.9643 -37.8461 -36.8054 81.3011 -159.5807 -151.3011 -33.1946 85.9236 60.1214 179.9719 -60.0821 -176.7719 -56.9214 63.0246 -62.7266 57.1239 177.0699 -65.1056 55.8033 175.3247 172.1189 -66.9722 52.5492 55.267 176.1759 -64.3027 148.3877 -30.0022 -90.3956 91.2145 29.191 -149.1989 83.405 -158.5949 -39.4417 -38.3161 79.684 -161.1628 -150.9643 -32.9641 86.189 -59.3731 60.723 -179.4 63.0418 -176.8621 -56.9851 175.0542 -64.8497 55.0273 -83.0198 40.5317 159.0867 154.2131 -82.2353 36.3197 38.9966 162.5481 -78.8969</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="68">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|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">174</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">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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= 7021 NPrTT= 31656 LenC2= 6474 LenP2D= 19221.</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= 178 RedAO= T EigKep= 2.89D-03 NBF= 178</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 178 1.00D-06 EigRej= -1.00D+00 NBFU= 178</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 18 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="81">0.00074 0.00184 0.00648 0.00774 0.00840 0.00903 0.00962 0.01052 0.01597 0.03994 0.04565 0.05287 0.05375 0.05531 0.05589 0.05670 0.05780 0.05814 0.05825 0.05875 0.05958 0.06005 0.06052 0.06090 0.06141 0.06167 0.06430 0.06630 0.10748 0.12504 0.15028 0.15288 0.15438 0.15725 0.15931 0.15975 0.15994 0.15999 0.16000 0.16000 0.16000 0.16003 0.16007 0.16014 0.16027 0.16050 0.16084 0.16163 0.16305 0.16762 0.17410 0.17932 0.19718 0.20054 0.20224 0.20355 0.20540 0.21353 0.21728 0.24785 0.28298 0.33422 0.34108 0.34248 0.34258 0.34312 0.34349 0.34357 0.34364 0.34372 0.34403 0.34411 0.34433 0.34467 0.34484 0.34583 0.34635 0.34707 0.35088 0.36794 0.63179</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-1.25937197D-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">0.00169393 0.00000281 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00000270 0.00000021 0.00000021</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 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 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 D64 D65 D66 D67 D68</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="148">4.40623 3.22265 3.68180 3.61749 3.61836 3.62488 3.65774 3.62629 3.61562 3.61702 2.08346 2.09106 2.08756 2.08763 2.09108 2.08421 2.08790 2.08794 2.09160 2.08623 2.09204 2.08584 2.08831 2.08289 2.09114 2.08422 2.08836 2.09110 1.88510 1.91249 1.89428 1.93425 1.94875 1.88637 1.88795 1.96096 1.90208 1.88828 1.86728 1.88394 1.96249 1.94910 2.21368 2.12019 1.95918 1.90698 1.93387 1.88535 1.89296 1.88337 1.92817 1.91340 1.96099 1.88559 1.88893 1.88470 1.95855 1.95530 1.90203 1.88669 1.87869 1.87947 1.95551 1.88099 1.97900 1.87347 1.89677 1.87339 1.93204 1.93957 1.91155 1.89687 1.88549 1.89717 1.93599 1.93431 1.91496 1.89737 1.89374 1.88629 3.11530 -0.00380 2.13051 -1.03219 -2.02054 1.09995 0.05027 -3.11244 1.21295 -2.97919 -0.90634 -0.88630 1.20474 -3.00560 -2.96072 -0.86968 1.20317 1.06883 -3.13825 -1.04251 -3.10445 -1.02835 1.06739 -1.03097 1.04513 3.14087 -1.05070 1.07549 -3.12972 3.13659 -1.02041 1.05757 1.02393 -3.13306 -1.05509 -3.10473 0.06137 -1.03837 2.12773 1.10045 -2.01663 1.17358 -3.05237 -0.98140 -0.91317 1.14406 -3.06816 -3.02905 -0.97182 1.09915 -1.01136 1.09824 -3.08856 1.11290 -3.06068 -0.96430 -3.10489 -0.99529 1.10109 -1.03550 1.07387 -3.12756 3.12157 -1.05224 1.02951 1.06601 -3.10781 -1.02605</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="148">0.00005 -0.00001 0.00001 -0.00002 -0.00001 -0.00001 -0.00005 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00002 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00004 -0.00002 -0.00005 0.00004 -0.00001 0.00002 0.00003 -0.00005 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00005 0.00000 0.00004 0.00001 0.00000 -0.00001 -0.00001 0.00004 -0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00003 0.00003 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00001 0.00002 0.00001 0.00000 0.00001 0.00002 0.00001 0.00002 0.00000 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 0.00002 0.00001 0.00002</array>
                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="148">-0.00044 -0.00004 0.00012 -0.00009 0.00001 -0.00011 0.00014 -0.00006 -0.00020 -0.00012 -0.00005 -0.00006 -0.00004 -0.00003 -0.00005 -0.00008 -0.00003 -0.00005 -0.00003 -0.00004 -0.00006 -0.00007 -0.00005 -0.00005 -0.00002 -0.00005 -0.00001 -0.00009 -0.00012 -0.00021 0.00014 0.00008 0.00007 0.00022 -0.00031 -0.00008 0.00019 -0.00032 -0.00011 -0.00004 0.00038 -0.00001 0.00007 -0.00007 -0.00026 0.00008 0.00004 0.00006 0.00004 0.00004 -0.00016 0.00005 0.00006 -0.00001 0.00005 0.00002 -0.00011 0.00014 -0.00004 0.00003 -0.00005 0.00003 -0.00013 0.00024 -0.00024 0.00006 0.00008 0.00001 -0.00015 0.00024 -0.00012 0.00004 -0.00001 0.00000 0.00000 -0.00047 0.00035 -0.00007 0.00011 0.00009 0.00030 0.00041 0.00067 0.00058 0.00072 0.00062 0.00047 0.00038 -0.00008 -0.00010 0.00002 -0.00016 -0.00019 -0.00007 0.00004 0.00001 0.00013 -0.00032 -0.00040 -0.00031 -0.00044 -0.00052 -0.00043 -0.00032 -0.00040 -0.00031 -0.00016 -0.00010 0.00000 -0.00009 -0.00003 0.00007 -0.00012 -0.00006 0.00004 -0.00001 0.00010 -0.00008 0.00003 0.00030 0.00041 0.00174 0.00189 0.00193 0.00163 0.00178 0.00181 0.00127 0.00142 0.00145 0.00013 0.00024 0.00031 0.00008 0.00019 0.00026 0.00018 0.00028 0.00035 -0.00069 -0.00110 -0.00106 -0.00039 -0.00079 -0.00075 -0.00044 -0.00085 -0.00081</array>
                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="148">0.00036 -0.00003 0.00004 -0.00003 0.00001 0.00002 -0.00017 0.00008 0.00007 0.00005 0.00001 0.00003 -0.00002 0.00001 0.00000 0.00005 0.00001 0.00001 0.00001 0.00003 0.00000 0.00001 0.00002 -0.00001 0.00003 0.00001 0.00001 0.00000 -0.00010 0.00008 -0.00006 -0.00006 -0.00008 0.00007 0.00005 -0.00002 0.00008 -0.00002 -0.00026 0.00017 0.00005 0.00007 0.00001 -0.00007 -0.00003 -0.00005 0.00008 -0.00005 0.00004 0.00001 0.00000 -0.00002 0.00007 0.00001 -0.00005 -0.00001 0.00001 -0.00003 0.00007 0.00000 -0.00002 -0.00002 -0.00025 -0.00001 0.00026 0.00003 -0.00003 0.00001 -0.00004 0.00020 -0.00009 -0.00003 -0.00006 0.00002 -0.00001 0.00010 0.00003 -0.00008 -0.00001 -0.00004 -0.00025 -0.00042 0.00025 0.00041 0.00017 0.00032 0.00015 0.00031 -0.00058 -0.00070 -0.00067 -0.00051 -0.00062 -0.00060 -0.00057 -0.00068 -0.00065 -0.00045 -0.00046 -0.00043 -0.00045 -0.00045 -0.00042 -0.00037 -0.00038 -0.00035 -0.00014 -0.00016 -0.00016 -0.00025 -0.00027 -0.00027 -0.00022 -0.00024 -0.00024 0.00047 0.00029 0.00019 0.00001 0.00029 0.00011 0.00268 0.00256 0.00272 0.00276 0.00265 0.00281 0.00275 0.00264 0.00280 0.00072 0.00079 0.00088 0.00059 0.00066 0.00075 0.00066 0.00073 0.00082 -0.00051 -0.00055 -0.00052 -0.00058 -0.00061 -0.00058 -0.00039 -0.00043 -0.00040</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="148">-0.00008 -0.00007 0.00017 -0.00012 0.00002 -0.00009 -0.00003 0.00003 -0.00013 -0.00008 -0.00004 -0.00003 -0.00006 -0.00002 -0.00005 -0.00003 -0.00002 -0.00005 -0.00002 -0.00001 -0.00006 -0.00006 -0.00003 -0.00006 0.00001 -0.00003 0.00000 -0.00009 -0.00022 -0.00013 0.00008 0.00002 -0.00001 0.00030 -0.00026 -0.00010 0.00027 -0.00034 -0.00037 0.00013 0.00043 0.00006 0.00008 -0.00014 -0.00028 0.00003 0.00012 0.00001 0.00008 0.00004 -0.00016 0.00003 0.00013 0.00000 -0.00001 0.00001 -0.00011 0.00011 0.00003 0.00003 -0.00007 0.00001 -0.00038 0.00023 0.00002 0.00009 0.00004 0.00002 -0.00019 0.00043 -0.00021 0.00001 -0.00007 0.00002 -0.00001 -0.00037 0.00039 -0.00015 0.00010 0.00004 0.00005 -0.00002 0.00092 0.00098 0.00088 0.00094 0.00062 0.00069 -0.00066 -0.00080 -0.00066 -0.00067 -0.00081 -0.00067 -0.00053 -0.00067 -0.00053 -0.00078 -0.00086 -0.00074 -0.00089 -0.00097 -0.00086 -0.00070 -0.00078 -0.00066 -0.00029 -0.00026 -0.00016 -0.00034 -0.00030 -0.00020 -0.00035 -0.00031 -0.00021 0.00046 0.00039 0.00011 0.00004 0.00059 0.00052 0.00442 0.00446 0.00465 0.00439 0.00442 0.00462 0.00402 0.00406 0.00425 0.00086 0.00103 0.00119 0.00067 0.00085 0.00101 0.00084 0.00101 0.00117 -0.00121 -0.00164 -0.00158 -0.00096 -0.00140 -0.00133 -0.00084 -0.00127 -0.00120</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="148">4.40615 3.22259 3.68197 3.61737 3.61839 3.62480 3.65771 3.62631 3.61549 3.61694 2.08342 2.09103 2.08750 2.08761 2.09103 2.08419 2.08788 2.08789 2.09159 2.08623 2.09199 2.08579 2.08828 2.08283 2.09115 2.08419 2.08836 2.09101 1.88488 1.91236 1.89436 1.93428 1.94874 1.88666 1.88769 1.96086 1.90235 1.88794 1.86691 1.88406 1.96292 1.94916 2.21376 2.12005 1.95890 1.90702 1.93400 1.88536 1.89304 1.88341 1.92801 1.91342 1.96112 1.88559 1.88893 1.88471 1.95844 1.95541 1.90206 1.88672 1.87861 1.87948 1.95513 1.88122 1.97903 1.87356 1.89681 1.87341 1.93184 1.94000 1.91134 1.89688 1.88543 1.89719 1.93599 1.93394 1.91534 1.89722 1.89384 1.88633 3.11535 -0.00382 2.13143 -1.03121 -2.01965 1.10089 0.05089 -3.11175 1.21229 -2.97999 -0.90700 -0.88697 1.20393 -3.00626 -2.96125 -0.87035 1.20264 1.06806 -3.13911 -1.04325 -3.10534 -1.02932 1.06653 -1.03167 1.04435 3.14020 -1.05099 1.07524 -3.12987 3.13625 -1.02071 1.05737 1.02359 -3.13337 -1.05529 -3.10427 0.06176 -1.03826 2.12777 1.10104 -2.01611 1.17801 -3.04792 -0.97675 -0.90878 1.14848 -3.06354 -3.02503 -0.96777 1.10340 -1.01050 1.09927 -3.08737 1.11358 -3.05983 -0.96329 -3.10406 -0.99428 1.10226 -1.03671 1.07222 -3.12914 3.12060 -1.05365 1.02818 1.06517 -3.10908 -1.02726</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">0.000054 0.000016 0.008397 0.001694</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">-4.016877e-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="28">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="28">1 2 3 3 3 3 4 4 4 4 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="28">2 5 5 6 7 8 5 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="28">2.3317 1.7054 1.9483 1.9143 1.9148 1.9182 1.9356 1.9189 1.9133 1.914 1.1025 1.1065 1.1047 1.1047 1.1066 1.1029 1.1049 1.1049 1.1068 1.104 1.1071 1.1038 1.1051 1.1022 1.1066 1.1029 1.1051 1.1066</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="28">-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="52">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="52">1 5 5 5 6 6 7 5 5 5 9 9 10 2 2 3 3 3 3 12 12 13 3 3 3 15 15 16 3 3 3 18 18 19 4 4 4 21 21 22 4 4 4 24 24 25 4 4 4 27 27 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="52">2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="52">5 6 7 8 7 8 8 9 10 11 10 11 11 3 4 4 12 13 14 13 14 14 15 16 17 16 17 17 18 19 20 19 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="52">108.0084 109.5777 108.5343 110.8246 111.6553 108.0808 108.1715 112.3547 108.9814 108.1907 106.9875 107.9416 112.4424 111.6753 126.8344 121.4777 112.253 109.2619 110.8028 108.0223 108.4585 107.9093 110.4761 109.6295 112.3564 108.0363 108.2279 107.9855 112.2164 112.0305 108.9782 108.0992 107.6408 107.6854 112.0424 107.7729 113.3885 107.3418 108.6767 107.3372 110.6975 111.1289 109.5239 108.6826 108.0308 108.6997 110.9242 110.8278 109.7189 108.7113 108.5035 108.0766</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="52">-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 =    0.0|-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="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="67">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 D64 D65 D66 D67</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="67">1 1 6 6 7 7 8 8 5 5 5 7 7 7 8 8 8 5 5 5 6 6 6 8 8 8 5 5 5 6 6 6 7 7 7 9 9 10 10 11 11 5 5 5 10 10 10 11 11 11 5 5 5 9 9 9 11 11 11 5 5 5 9 9 9 10 10</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="67">2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="67">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 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="67">3 4 2 4 2 4 2 4 12 13 14 12 13 14 12 13 14 15 16 17 15 16 17 15 16 17 18 19 20 18 19 20 18 19 20 2 3 2 3 2 3 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="67">178.4934 -0.2178 122.0692 -59.1403 -115.7682 63.0223 2.88 -178.3295 69.4972 -170.695 -51.9295 -50.7814 69.0265 -172.208 -169.6368 -49.829 68.9366 61.2397 -179.8083 -59.7315 -177.872 -58.92 61.1569 -59.0705 59.8815 179.9583 -60.2004 61.6211 -179.3195 179.7132 -58.4653 60.5941 58.6671 -179.5113 -60.452 -177.8878 3.5165 -59.4944 121.91 63.0513 -115.5443 67.2414 -174.888 -56.2301 -52.3209 65.5497 -175.7924 -173.552 -55.6814 62.9765 -57.9467 62.9247 -176.9617 63.7645 -175.3641 -55.2505 -177.8973 -57.0259 63.0877 -59.33 61.528 -179.1963 178.8528 -60.2892 58.9865 61.0778 -178.0641</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="67">-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|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="2.2408"
                                 y3="-2.5395"
                                 z3="-0.0132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="P"
                                 id="a2"
                                 x3="0.2391"
                                 y3="-2.2327"
                                 z3="0.0132">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a3"
                                 x3="-1.8345"
                                 y3="-0.0074"
                                 z3="-0.0057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="1.3398"
                                 y3="0.8141"
                                 z3="0.0090">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="0.0295"
                                 y3="-0.5292"
                                 z3="0.0200">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-2.1064"
                                 y3="1.6532"
                                 z3="0.8378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-2.4401"
                                 y3="0.0725"
                                 z3="-1.7904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-2.9721"
                                 y3="-1.2344"
                                 z3="0.8936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="0.7335"
                                 y3="2.3551"
                                 z3="-0.9042">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="1.8040"
                                 y3="1.2827"
                                 z3="1.7803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="2.9666"
                                 y3="0.3656"
                                 z3="-0.8404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-1.9320"
                                 y3="2.4842"
                                 z3="0.1516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.1464"
                                 y3="1.7308"
                                 z3="1.1716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-1.4678"
                                 y3="1.7670"
                                 z3="1.7173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-2.3401"
                                 y3="-0.9034"
                                 z3="-2.2746">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.4935"
                                 y3="0.3660"
                                 z3="-1.8220">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-1.8630"
                                 y3="0.8027"
                                 z3="-2.3640">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-2.9877"
                                 y3="-2.2016"
                                 z3="0.3835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-2.6345"
                                 y3="-1.3816"
                                 z3="1.9236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-3.9947"
                                 y3="-0.8460"
                                 z3="0.9173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="0.1347"
                                 y3="2.9939"
                                 z3="-0.2526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.5919"
                                 y3="2.9514"
                                 z3="-1.2302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="0.1554"
                                 y3="2.0914"
                                 z3="-1.7932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="0.9287"
                                 y3="1.6432"
                                 z3="2.3272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="2.2100"
                                 y3="0.4157"
                                 z3="2.3095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.5601"
                                 y3="2.0732"
                                 z3="1.7792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="3.6348"
                                 y3="-0.1882"
                                 z3="-0.1765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="2.7912"
                                 y3="-0.2055"
                                 z3="-1.7564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="3.4954"
                                 y3="1.2825"
                                 z3="-1.1215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a4 a9" order="S"/>
                           <bond atomRefs2="a4 a10" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a6 a13" order="S"/>
                           <bond atomRefs2="a6 a14" order="S"/>
                           <bond atomRefs2="a6 a12" order="S"/>
                           <bond atomRefs2="a7 a15" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a9 a22" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a27" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 18 Cl 1 P 1 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">206.6726609999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H18ClPSi2/c1-10(2,3)7(9-8)11(4,5)6/h1-6H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,1,2,3,4/E:(1,2,3,4,5,6)(10,11)/CRV:7.3,9.2/rA:29ClP2SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:s1;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                            dataType="xsd:double"
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                            size="3">0.7242048 0.5031751 0.3652951</array>
                  </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="178">0.74384 1.22401 0.97410 1.01193 1.07710 0.96204 1.78747 1.80185 1.79985 0.22758 0.22747 0.22839 0.73740 0.91052 0.87684 0.69499 0.97532 0.98511 0.74266 1.22665 0.96139 1.02247 1.05479 0.93595 1.82215 1.83610 1.82709 0.16699 0.16418 0.16753 0.47071 0.63088 0.50494 0.17918 0.26087 0.53004 0.74953 1.22058 0.89604 1.08524 0.80517 0.23724 1.97278 1.97551 1.97646 0.01150 0.00997 0.00959 0.41188 0.44554 0.45342 0.07802 0.13056 0.13185 0.74952 1.22060 0.89580 1.08558 0.80601 0.19960 1.97495 1.97439 1.97634 0.01024 0.01079 0.00957 0.44032 0.42715 0.45415 0.08595 0.07532 0.11957 1.17459 0.81387 0.71439 0.98156 0.94201 0.92733 0.68526 0.51615 0.19468 0.38763 1.17411 0.81437 0.70381 0.84176 0.91448 0.94236 0.92366 0.24098 0.26376 0.24200 1.17414 0.81438 0.70617 0.82268 0.91419 0.91607 0.94168 0.22105 0.23045 0.26475 1.17414 0.81442 0.70560 0.81846 0.91631 0.93127 0.92217 0.25181 0.24824 0.23937 1.17412 0.81436 0.70369 0.83961 0.92204 0.93219 0.92181 0.23715 0.27446 0.24310 1.17414 0.81438 0.70702 0.82267 0.91298 0.91604 0.94060 0.22470 0.23222 0.26867 1.17415 0.81438 0.70632 0.82198 0.92571 0.91910 0.92393 0.27238 0.22144 0.24883 0.50956 0.23850 0.50685 0.24206 0.50823 0.24859 0.50663 0.24663 0.50676 0.25270 0.50858 0.25187 0.50777 0.24669 0.50675 0.24858 0.50727 0.25386 0.51071 0.23908 0.50740 0.24234 0.50887 0.25231 0.50935 0.25635 0.50686 0.24342 0.50648 0.25132 0.50706 0.23883 0.50691 0.25012 0.50930 0.25807</matrix>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-1.6507 2.0787 0.0338</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">2.6546</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-99.5490 -103.9097 -99.6506</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">3.9627 0.3581 0.2464</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">1.4874 -2.8733 1.3858 3.9627 0.3581 0.2464</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-49.8872 74.4677 0.5940 -15.8674 36.7589 2.4178 -9.6383 17.6942 -1.8950 -3.0013</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-2358.7153 -1711.9142 -639.9763 98.2712 14.4672 120.1428 5.6225 -11.4873 -3.0007 -695.6967 -514.9463 -382.2911 0.7806 5.4181 22.4620</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="2.458669"
                                 y3="-2.251284"
                                 z3="1.489048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="P"
                                 id="a2"
                                 x3="0.181048"
                                 y3="-1.918549"
                                 z3="1.116973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a3"
                                 x3="-1.890328"
                                 y3="0.0003"
                                 z3="0.027939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="1.374198"
                                 y3="0.907855"
                                 z3="0.021365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-0.020156"
                                 y3="-0.371525"
                                 z3="0.428154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-2.441988"
                                 y3="1.582702"
                                 z3="0.953247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-2.081446"
                                 y3="0.187553"
                                 z3="-1.86803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.011299"
                                 y3="-1.446481"
                                 z3="0.60219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="0.675322"
                                 y3="2.548165"
                                 z3="-0.688083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="2.304801"
                                 y3="1.347936"
                                 z3="1.634137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="2.525362"
                                 y3="0.137277"
                                 z3="-1.299467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-1.968999"
                                 y3="2.491229"
                                 z3="0.54531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.538723"
                                 y3="1.696409"
                                 z3="0.860118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-2.197685"
                                 y3="1.513811"
                                 z3="2.028379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-1.79416"
                                 y3="-0.748431"
                                 z3="-2.379711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.13821"
                                 y3="0.402938"
                                 z3="-2.115648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-1.46309"
                                 y3="1.006029"
                                 z3="-2.273196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-2.753511"
                                 y3="-2.398066"
                                 z3="0.103426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-2.956047"
                                 y3="-1.605342"
                                 z3="1.694203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.062541"
                                 y3="-1.209448"
                                 z3="0.349653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="0.090762"
                                 y3="3.108393"
                                 z3="0.062399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.533977"
                                 y3="3.183522"
                                 z3="-0.978971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="0.051704"
                                 y3="2.405985"
                                 z3="-1.587647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.607591"
                                 y3="1.755032"
                                 z3="2.388711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="2.806018"
                                 y3="0.462447"
                                 z3="2.057903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="3.068447"
                                 y3="2.120059"
                                 z3="1.421541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="2.971988"
                                 y3="-0.802193"
                                 z3="-0.932917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="1.968823"
                                 y3="-0.074347"
                                 z3="-2.230461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="3.342176"
                                 y3="0.843726"
                                 z3="-1.540766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a9" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a4 a10" order="S"/>
                           <bond atomRefs2="a6 a13" order="S"/>
                           <bond atomRefs2="a6 a14" order="S"/>
                           <bond atomRefs2="a6 a12" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a7 a15" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a9 a22" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a27" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 18 Cl 1 P 1 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">206.6726609999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H18PSi2.Cl/c1-9(2,3)7(8)10(4,5)6;/h1-6H3;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,2,3,4;1/E:(1,2,3,4,5,6)(9,10);/CRV:7.3,8.1;/rA:29Cl0P1SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="435">0.000000 2.331675 0.000000 5.110601 3.026313 0.000000 3.648332 3.257686 3.388337 0.000000 3.286877 1.705355 1.948325 1.935591 0.000000 6.245236 4.377886 1.914294 3.985863 3.155946 0.000000 6.150654 4.297067 1.914756 4.003765 3.135913 3.167971 0.000000 5.599534 3.267864 1.918206 5.011272 3.183200 3.102146 3.104301 0.000000 5.563715 4.842939 3.686036 1.918948 3.202228 3.652904 3.816351 5.586876 0.000000 3.605428 3.930357 4.689894 1.913303 3.133108 4.801118 5.731565 6.093817 3.080334 0.000000 3.672259 3.944795 4.612926 1.914044 3.118207 5.642565 4.642033 6.064586 3.099809 3.181254 0.000000 6.556395 4.939195 2.545308 3.736116 3.465123 1.102521 3.338231 4.073720 2.918379 4.556098 5.398479 0.000000 7.207534 5.193322 2.507292 5.046000 4.104054 1.106540 3.441380 3.197258 4.569529 5.904855 6.623279 1.787422 0.000000 6.012358 4.274357 2.527240 4.141695 3.294972 1.104689 4.117581 3.385161 4.086957 4.522756 5.939408 1.790848 1.787892 0.000000 5.942425 4.182992 2.523218 4.306617 3.342643 4.118553 1.104725 3.295518 4.452807 6.107964 4.539788 4.368263 4.417832 4.971099 0.000000 7.166853 5.182337 2.512827 5.018326 4.097925 3.360757 1.106551 3.289849 4.602496 6.676847 5.728244 3.578927 3.269352 4.392219 1.789372 0.000000 6.335989 4.769653 2.547400 3.650323 3.358126 3.420633 1.102917 4.084067 3.076292 5.438856 4.196502 3.225793 3.821326 4.393292 1.788598 1.787335 0.000000 5.395212 3.141473 2.550087 5.289029 3.418121 4.082372 3.320201 1.104869 6.070304 6.477818 6.021841 4.971512 4.237200 4.395130 3.131712 3.594150 4.347572 0.000000 5.456966 3.205099 2.547602 5.278785 3.427046 3.313140 4.082757 1.104890 6.009472 6.033405 6.484183 4.367622 3.454963 3.227368 4.322159 4.310608 4.978799 1.788856 0.000000 6.701479 4.370315 2.507090 5.843705 4.129063 3.284299 3.285494 1.106829 6.135463 6.980914 6.923419 4.256315 2.996492 3.702965 3.578760 3.087376 4.306370 1.785217 1.785743 0.000000 6.030626 5.137161 3.685939 2.547795 3.500844 3.088069 4.120237 5.537241 1.103988 3.235976 4.075474 2.203794 3.975326 3.412441 4.938818 4.742324 3.505623 6.197795 5.845095 5.998016 0.000000 6.040139 5.679306 4.782534 2.490956 4.127189 4.701531 4.778864 6.678064 1.107060 3.285099 3.219498 3.882466 5.596967 5.075173 5.338429 5.554549 3.924144 7.120974 7.087975 7.237710 1.781282 0.000000 6.078625 5.102283 3.488400 2.565601 3.432664 3.654099 3.090371 5.386917 1.103780 4.071340 3.368838 2.939390 4.402979 4.351019 3.739642 3.803490 2.173582 5.814454 5.992317 5.809605 1.793754 1.781062 0.000000 4.193363 4.140959 4.570314 2.525175 3.318974 4.299924 5.846866 5.897075 3.311321 1.105084 4.130629 4.090490 5.368853 3.829902 6.370015 6.681321 5.632359 6.441271 5.709751 6.715378 3.089350 3.658864 4.319254 0.000000 2.794384 3.666736 5.137119 2.529027 3.367320 5.478759 6.275015 6.293193 4.053457 1.102219 3.384735 5.404135 6.573666 5.113050 6.505404 7.263327 6.105668 6.550639 6.132652 7.272582 4.284353 4.271409 4.965241 1.793443 0.000000 4.414185 4.973951 5.570005 2.510062 4.090755 5.556343 6.409155 7.096116 3.218825 1.106584 3.410316 5.126540 6.644500 5.335535 6.806079 7.347300 5.952057 7.486393 7.088546 7.942642 3.419164 3.041054 4.270563 1.789627 1.794855 0.000000 2.868671 3.638357 5.020891 2.527419 3.315255 6.209386 5.233663 6.210586 4.069338 3.414375 1.102922 6.119243 7.200510 6.392078 4.981191 6.339220 4.973523 6.033420 6.533636 7.162084 4.958306 4.237442 4.387383 4.408423 3.251440 3.753976 0.000000 4.337482 4.219305 4.472023 2.527652 3.333555 5.686569 4.074877 5.891373 3.306001 4.131694 1.105111 5.458345 6.558987 6.166016 3.825794 5.130572 3.598203 5.757355 6.480839 6.657537 4.349041 3.516963 3.200094 4.981353 4.402171 4.400195 1.794358 0.000000 4.420344 4.968548 5.527323 2.513424 4.081514 6.342140 5.472965 7.085475 3.277848 3.377926 1.106563 5.939239 7.337444 6.624037 5.442494 6.520750 4.863474 7.097182 7.492034 7.913220 4.274406 3.009957 3.642809 4.390906 3.658313 3.237162 1.793201 1.790150 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.7051164 0.4712664 0.3489029</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= 174 174 174 174 174 MxSgAt= 29 MxSgA2= 29.</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</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= 7021 NPrTT= 31656 LenC2= 6433 LenP2D= 19024.</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= 178 RedAO= T EigKep= 2.99D-03 NBF= 178</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 178 1.00D-06 EigRej= -1.00D+00 NBFU= 178</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= 175 175 175 175 175 MxSgAt= 29 MxSgA2= 29.</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">-1656.31364545253</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.23198619755</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.081659254980</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.71167200380</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.479685806256</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.78972836518</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.078056361372</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.95752721244</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.167798847260</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96400971419</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.006482501753</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96422359254</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000213878353</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96429128589</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000067693344</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96429317865</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001892765</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455231842</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000259139774</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455274782</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000429399</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455240965</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000338173</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455284234</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000432686</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455288595</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000043619</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455288717</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001216</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455288724</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000068</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.96455288721</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000029</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">-1656.96455289</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">17</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.652013005163e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-6.087763511617e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.697322304450e+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=129889722.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      115796 IEndB=      115796 NGot=   402653184 MDV=   275631043</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   275631043 LenY=   275598918</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=  15931 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">-6.49442152e-01 8.17820129e-01 1.32936090e-02</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="29">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="29">17 15 14 14 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">0.082768071 -0.021541686 0.000971105</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.080372952 0.014604000 0.001987283</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003344423 -0.005126274 0.002032097</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.014545947 0.008263503 -0.000754686</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.013494410 -0.008194544 -0.000943942</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000391129 0.004343529 0.000692526</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003431589 0.001315240 -0.002747174</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007375667 -0.002472153 -0.000543099</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002727103 0.002479973 0.000879295</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005577111 -0.001561852 0.003212980</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002870825 -0.001385720 -0.003377747</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002846589 0.006509281 -0.002946628</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006731789 -0.001281523 0.002438832</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004180893 0.003000001 0.006084942</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000687458 -0.005876848 -0.003607861</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007321772 0.002311676 -0.000072020</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003101130 0.004601958 -0.006005117</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000677295 -0.007718002 -0.001307708</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000651274 -0.002857400 0.007092540</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006362419 0.003348354 -0.000387635</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006385168 0.004671923 0.002475831</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006313790 0.002023343 -0.002203854</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005085044 0.000377733 -0.006488728</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004949458 0.002910311 0.006162153</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002600176 -0.005049206 0.004087900</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005163794 0.005298413 -0.000870534</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002403840 -0.006187370 0.001410796</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002646964 -0.005345710 -0.005103953</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001049806 0.008539048 -0.002167592</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.082768071</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.013482743</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99722549160</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725484575</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000029354151</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725317210</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000001673651</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725504648</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001874377</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725509132</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000044846</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725509381</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002482</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725509387</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000068</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99725509392</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000043</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">-1656.99725509</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">8</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.651095255737e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-6.034592440421e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.671322471664e+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=129889722.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      115796 IEndB=      115796 NGot=   402653184 MDV=   275631043</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   275631043 LenY=   275598918</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=  15931 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l601.kinetic">
                  <module>
                     <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                     <array dataType="xsd:integer" dictRef="x:serial" size="178">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178</array>
                     <array dataType="xsd:string" dictRef="x:label" size="178">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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</array>
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                  </module>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT2928.300S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-07-21T23:27:47.000+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">
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                        <array dataType="xsd:string" dictRef="cc:elementType" size="29">Cl P Si Si 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="29">-0.245805 0.495453 1.399134 1.484159 -1.337468 -1.061307 -1.005563 -1.021790 -1.062522 -1.013397 -1.028219 0.251931 0.251083 0.243174 0.246743 0.240540 0.239557 0.245539 0.244672 0.238869 0.250208 0.250267 0.238814 0.234304 0.249712 0.242203 0.254114 0.242963 0.232635</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
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                     <module cmlx:templateRef="l601.orbital.closedshell">
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                               delimiter="|"
                               dictRef="x:label"
                               size="178">1   Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   P  1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|4   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|5   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  H  1S|2S|13  H  1S|2S|14  H  1S|2S|15  H  1S|2S|16  H  1S|2S|17  H  1S|2S|18  H  1S|2S|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</array>
                        <matrix cols="1"
                                dataType="xsd:double"
                                dictRef="g:totaloccup"
                                rows="178">0.74384 1.22402 0.97415 1.01290 1.07371 0.95769 1.78639 1.80057 1.79984 0.22977 0.22858 0.22905 0.69645 0.88234 0.86865 0.76682 1.01397 1.01631 0.74272 1.22655 0.96297 1.02179 1.05939 0.96965 1.81772 1.83492 1.82830 0.17045 0.16497 0.16737 0.37776 0.60723 0.51546 0.29960 0.27554 0.47471 0.74954 1.22057 0.89624 1.08528 0.80917 0.25776 1.97190 1.97529 1.97569 0.01201 0.01006 0.00994 0.40067 0.44533 0.44730 0.09116 0.12501 0.14412 0.74954 1.22058 0.89618 1.08538 0.81024 0.24700 1.97301 1.97379 1.97610 0.01137 0.01104 0.00964 0.41593 0.42396 0.45469 0.10768 0.09704 0.11918 1.17467 0.81384 0.72207 0.98184 0.92079 0.89280 0.71025 0.50148 0.22932 0.33552 1.17417 0.81442 0.70330 0.84321 0.90870 0.92385 0.91759 0.22819 0.25541 0.24473 1.17417 0.81442 0.70376 0.83862 0.90806 0.91359 0.92655 0.22286 0.22957 0.26969 1.17417 0.81444 0.70324 0.83348 0.91095 0.92509 0.91403 0.26596 0.24904 0.23475 1.17417 0.81440 0.70216 0.84444 0.91048 0.92757 0.91064 0.23210 0.28241 0.23598 1.17417 0.81442 0.70484 0.83335 0.91053 0.92000 0.91954 0.23062 0.23849 0.25383 1.17417 0.81442 0.70490 0.83275 0.91073 0.92309 0.91519 0.23364 0.24123 0.24688 0.50542 0.24304 0.50211 0.25746 0.50221 0.25140 0.50226 0.25028 0.50196 0.25776 0.50567 0.25227 0.50252 0.25077 0.50233 0.25049 0.50245 0.25666 0.50545 0.25746 0.50243 0.25212 0.50622 0.26095 0.50303 0.26346 0.49989 0.22961 0.50244 0.26713 0.50001 0.23224 0.50307 0.26327 0.50241 0.26639</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="29">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="29">Cl P Si Si 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="29">-0.305055 0.482876 1.372953 1.417651 -1.282586 -1.013575 -1.001308 -1.025161 -1.034347 -0.999786 -0.997001 0.251534 0.240434 0.246393 0.247456 0.240275 0.242054 0.246705 0.247178 0.240888 0.237086 0.245454 0.232826 0.233511 0.270500 0.230429 0.267746 0.233662 0.231208</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.dipole">
                     <array cmlx:templateRef="dipole"
                            dataType="xsd:double"
                            dictRef="x:d"
                            size="3">-1.23178507e+00 1.07062540e+00 -6.00147085e-01</array>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-3.1309 2.7213 -1.5254</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">4.4198</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-100.1139 -104.3013 -101.6515</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">7.2895 -3.9746 3.6659</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">1.9083 -2.2791 0.3707 7.2895 -3.9746 3.6659</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-62.6993 49.2162 -95.1387 -21.9856 33.5948 -43.3104 -21.6504 16.8816 -41.6591 6.8837</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-2427.1386 -1579.5487 -922.4986 101.4575 -155.3629 109.2546 231.3796 -162.9279 210.3056 -699.2467 -590.4549 -423.5357 81.6533 -68.3227 35.6917</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">-1656.9972551</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">9.355E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.818E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">1.4187815,-1.6944226,0.275641,5.419595,-2.9550435,2.7254793</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C7H18Cl1P1Si2)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-1.2317851 1.0706254 -0.6001471</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cl"
                        id="a1"
                        x3="2.45866889"
                        y3="-2.25128367"
                        z3="1.48904788">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">0.000054162 0.000000345 0.000013367</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">-0.000061530 0.000019548 0.000011765</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">-0.000016754 0.000026103 0.000006263</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">-0.000054668 -0.000050577 -0.000007475</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">0.000050130 -0.000013540 -0.000038830</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">0.000021521 -0.000011937 0.000007249</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">-0.000009581 -0.000007923 0.000005453</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000005387 0.000005477 0.000005375</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">0.000008781 0.000010676 -0.000011416</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">0.000002991 -0.000019298 0.000006690</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000008885 0.000016941 0.000024742</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000007023 -0.000008507 -0.000010242</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">-0.000001916 0.000000585 -0.000021480</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">-0.000020192 0.000005391 -0.000019242</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">0.000011731 0.000002523 0.000004176</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">0.000013978 -0.000016353 -0.000003297</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">0.000002687 -0.000001405 0.000000180</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">-0.000003068 0.000002793 0.000005874</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000001561 0.000009744 -0.000003443</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">0.000004685 -0.000012481 0.000004542</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">0.000023028 -0.000006600 0.000018123</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">-0.000008040 -0.000012811 -0.000019251</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">-0.000017682 0.000014668 0.000013288</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">-0.000004187 0.000005997 -0.000006574</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">0.000002098 0.000035857 0.000010135</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">-0.000013952 0.000020020 -0.000011810</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">0.000004571 0.000009750 0.000012008</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">0.000012071 -0.000015878 0.000009325</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">-0.000009672 -0.000009107 -0.000005492</array>
                     </property>
                  </atom>
                  <atom elementType="P"
                        id="a2"
                        x3="0.18104824"
                        y3="-1.91854896"
                        z3="1.11697267"/>
                  <atom elementType="Si"
                        id="a3"
                        x3="-1.89032792"
                        y3="0.00029957"
                        z3="0.02793945"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="1.37419822"
                        y3="0.90785471"
                        z3="0.02136539"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-0.02015587"
                        y3="-0.37152479"
                        z3="0.42815449"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.44198828"
                        y3="1.5827021"
                        z3="0.95324715"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-2.08144636"
                        y3="0.18755255"
                        z3="-1.8680302"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.01129939"
                        y3="-1.44648121"
                        z3="0.60219032"/>
                  <atom elementType="C"
                        id="a9"
                        x3="0.67532227"
                        y3="2.54816456"
                        z3="-0.68808296"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.30480093"
                        y3="1.34793586"
                        z3="1.63413747"/>
                  <atom elementType="C"
                        id="a11"
                        x3="2.5253617"
                        y3="0.13727671"
                        z3="-1.29946705"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-1.96899892"
                        y3="2.49122948"
                        z3="0.5453102"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.53872328"
                        y3="1.69640858"
                        z3="0.86011783"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.19768486"
                        y3="1.51381134"
                        z3="2.02837859"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.79416009"
                        y3="-0.74843139"
                        z3="-2.37971122"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.13821025"
                        y3="0.40293847"
                        z3="-2.11564847"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-1.4630902"
                        y3="1.0060286"
                        z3="-2.27319594"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.75351115"
                        y3="-2.3980664"
                        z3="0.10342632"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-2.9560472"
                        y3="-1.60534208"
                        z3="1.69420337"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.06254146"
                        y3="-1.2094482"
                        z3="0.349653"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.090762"
                        y3="3.10839297"
                        z3="0.06239874"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.53397726"
                        y3="3.18352154"
                        z3="-0.97897063"/>
                  <atom elementType="H"
                        id="a23"
                        x3="0.05170427"
                        y3="2.40598529"
                        z3="-1.58764741"/>
                  <atom elementType="H"
                        id="a24"
                        x3="1.60759097"
                        y3="1.75503244"
                        z3="2.38871142"/>
                  <atom elementType="H"
                        id="a25"
                        x3="2.80601752"
                        y3="0.46244679"
                        z3="2.05790256"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.06844713"
                        y3="2.12005921"
                        z3="1.42154128"/>
                  <atom elementType="H"
                        id="a27"
                        x3="2.97198752"
                        y3="-0.80219291"
                        z3="-0.93291692"/>
                  <atom elementType="H"
                        id="a28"
                        x3="1.96882253"
                        y3="-0.07434734"
                        z3="-2.23046128"/>
                  <atom elementType="H"
                        id="a29"
                        x3="3.34217578"
                        y3="0.84372617"
                        z3="-1.54076603"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a11 a27" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">206.6726609999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H18PSi2.Cl/c1-9(2,3)7(8)10(4,5)6;/h1-6H3;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,2,3,4;1/E:(1,2,3,4,5,6)(9,10);/CRV:7.3,8.1;/rA:29Cl0P1SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-KIMIK2066</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000144892</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">21-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">81</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C7H18ClPSi2)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq=noraman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cl"
                        id="a1"
                        x3="2.45867"
                        y3="-2.25128"
                        z3="1.48905"/>
                  <atom elementType="P"
                        id="a2"
                        x3="0.18105"
                        y3="-1.91855"
                        z3="1.11697"/>
                  <atom elementType="Si"
                        id="a3"
                        x3="-1.89033"
                        y3="0.0003"
                        z3="0.02794"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="1.3742"
                        y3="0.90786"
                        z3="0.02137"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-0.02016"
                        y3="-0.37153"
                        z3="0.42815"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.44199"
                        y3="1.5827"
                        z3="0.95325"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-2.08145"
                        y3="0.18755"
                        z3="-1.86803"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.0113"
                        y3="-1.44648"
                        z3="0.60219"/>
                  <atom elementType="C"
                        id="a9"
                        x3="0.67532"
                        y3="2.54817"
                        z3="-0.68808"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.3048"
                        y3="1.34794"
                        z3="1.63414"/>
                  <atom elementType="C"
                        id="a11"
                        x3="2.52536"
                        y3="0.13728"
                        z3="-1.29947"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-1.9690"
                        y3="2.49123"
                        z3="0.54531"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.53872"
                        y3="1.69641"
                        z3="0.86012"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.19768"
                        y3="1.51381"
                        z3="2.02838"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.79416"
                        y3="-0.74843"
                        z3="-2.37971"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.13821"
                        y3="0.40294"
                        z3="-2.11565"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-1.46309"
                        y3="1.00603"
                        z3="-2.2732"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.75351"
                        y3="-2.39807"
                        z3="0.10343"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-2.95605"
                        y3="-1.60534"
                        z3="1.6942"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.06254"
                        y3="-1.20945"
                        z3="0.34965"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.09076"
                        y3="3.10839"
                        z3="0.0624"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.53398"
                        y3="3.18352"
                        z3="-0.97897"/>
                  <atom elementType="H"
                        id="a23"
                        x3="0.0517"
                        y3="2.40599"
                        z3="-1.58765"/>
                  <atom elementType="H"
                        id="a24"
                        x3="1.60759"
                        y3="1.75503"
                        z3="2.38871"/>
                  <atom elementType="H"
                        id="a25"
                        x3="2.80602"
                        y3="0.46245"
                        z3="2.0579"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.06845"
                        y3="2.12006"
                        z3="1.42154"/>
                  <atom elementType="H"
                        id="a27"
                        x3="2.97199"
                        y3="-0.80219"
                        z3="-0.93292"/>
                  <atom elementType="H"
                        id="a28"
                        x3="1.96882"
                        y3="-0.07435"
                        z3="-2.23046"/>
                  <atom elementType="H"
                        id="a29"
                        x3="3.34218"
                        y3="0.84373"
                        z3="-1.54077"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a11 a27" order="S"/>
               </bondArray>
               <formula concise="C 7 H 18 Cl 1 P 1 Si 2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">206.6726609999999</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/C7H18PSi2.Cl/c1-9(2,3)7(8)10(4,5)6;/h1-6H3;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,2,3,4;1/E:(1,2,3,4,5,6)(9,10);/CRV:7.3,8.1;/rA:29Cl0P1SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29366.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=000144892-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">000144892</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="29">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="29">35 31 28 28 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="29">34.9688527 30.9737634 27.9769284 27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 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="29">3 1 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="29">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">0.000222 0.000058 0.105463 0.032253</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">-1.960744e-05</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">1055.1774490424</scalar>
                     <module cmlx:templateRef="symaddnuc">
                        <scalar dataType="xsd:integer" dictRef="cc:basiscount">178</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:primbasis">384</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">178</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:alphae">60</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:betae">60</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">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">29</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">29</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="2.458669"
                                 y3="-2.251284"
                                 z3="1.489048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="P"
                                 id="a2"
                                 x3="0.181048"
                                 y3="-1.918549"
                                 z3="1.116973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a3"
                                 x3="-1.890328"
                                 y3="0.0003"
                                 z3="0.027939">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="1.374198"
                                 y3="0.907855"
                                 z3="0.021365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-0.020156"
                                 y3="-0.371525"
                                 z3="0.428154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-2.441988"
                                 y3="1.582702"
                                 z3="0.953247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-2.081446"
                                 y3="0.187553"
                                 z3="-1.86803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.011299"
                                 y3="-1.446481"
                                 z3="0.60219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="0.675322"
                                 y3="2.548165"
                                 z3="-0.688083">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="2.304801"
                                 y3="1.347936"
                                 z3="1.634137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="2.525362"
                                 y3="0.137277"
                                 z3="-1.299467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-1.968999"
                                 y3="2.491229"
                                 z3="0.54531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-3.538723"
                                 y3="1.696409"
                                 z3="0.860118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-2.197685"
                                 y3="1.513811"
                                 z3="2.028379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-1.79416"
                                 y3="-0.748431"
                                 z3="-2.379711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.13821"
                                 y3="0.402938"
                                 z3="-2.115648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-1.46309"
                                 y3="1.006029"
                                 z3="-2.273196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-2.753511"
                                 y3="-2.398066"
                                 z3="0.103426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-2.956047"
                                 y3="-1.605342"
                                 z3="1.694203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.062541"
                                 y3="-1.209448"
                                 z3="0.349653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="0.090762"
                                 y3="3.108393"
                                 z3="0.062399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.533977"
                                 y3="3.183522"
                                 z3="-0.978971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="0.051704"
                                 y3="2.405985"
                                 z3="-1.587647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="1.607591"
                                 y3="1.755032"
                                 z3="2.388711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="2.806018"
                                 y3="0.462447"
                                 z3="2.057903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="3.068447"
                                 y3="2.120059"
                                 z3="1.421541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="2.971988"
                                 y3="-0.802193"
                                 z3="-0.932917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="1.968823"
                                 y3="-0.074347"
                                 z3="-2.230461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="3.342176"
                                 y3="0.843726"
                                 z3="-1.540766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a9" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a4 a10" order="S"/>
                           <bond atomRefs2="a6 a13" order="S"/>
                           <bond atomRefs2="a6 a14" order="S"/>
                           <bond atomRefs2="a6 a12" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a7 a15" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a9 a22" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a27" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 18 Cl 1 P 1 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">206.6726609999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H18PSi2.Cl/c1-9(2,3)7(8)10(4,5)6;/h1-6H3;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,2,3,4;1/E:(1,2,3,4,5,6)(9,10);/CRV:7.3,8.1;/rA:29Cl0P1SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="435">0.000000 2.331675 0.000000 5.110601 3.026314 0.000000 3.648332 3.257687 3.388337 0.000000 3.286877 1.705356 1.948325 1.935591 0.000000 6.245236 4.377886 1.914294 3.985862 3.155946 0.000000 6.150654 4.297067 1.914755 4.003764 3.135912 3.167970 0.000000 5.599533 3.267863 1.918206 5.011271 3.183199 3.102145 3.104300 0.000000 5.563716 4.842940 3.686036 1.918948 3.202228 3.652904 3.816351 5.586875 0.000000 3.605428 3.930357 4.689894 1.913303 3.133108 4.801118 5.731564 6.093817 3.080334 0.000000 3.672259 3.944795 4.612926 1.914044 3.118207 5.642565 4.642033 6.064586 3.099810 3.181254 0.000000 6.556395 4.939195 2.545307 3.736115 3.465123 1.102521 3.338230 4.073719 2.918379 4.556098 5.398479 0.000000 7.207534 5.193322 2.507292 5.046000 4.104054 1.106540 3.441380 3.197258 4.569528 5.904855 6.623279 1.787422 0.000000 6.012358 4.274357 2.527240 4.141695 3.294973 1.104689 4.117581 3.385160 4.086958 4.522756 5.939409 1.790848 1.787892 0.000000 5.942425 4.182992 2.523217 4.306616 3.342642 4.118552 1.104725 3.295517 4.452807 6.107963 4.539788 4.368262 4.417831 4.971099 0.000000 7.166853 5.182337 2.512826 5.018326 4.097924 3.360757 1.106551 3.289848 4.602496 6.676846 5.728244 3.578926 3.269352 4.392219 1.789371 0.000000 6.335989 4.769653 2.547400 3.650322 3.358125 3.420633 1.102917 4.084067 3.076292 5.438856 4.196502 3.225793 3.821326 4.393293 1.788598 1.787335 0.000000 5.395212 3.141473 2.550087 5.289029 3.418120 4.082371 3.320201 1.104868 6.070303 6.477818 6.021841 4.971511 4.237200 4.395130 3.131712 3.594149 4.347572 0.000000 5.456966 3.205099 2.547603 5.278785 3.427045 3.313140 4.082757 1.104890 6.009472 6.033405 6.484183 4.367621 3.454963 3.227368 4.322158 4.310607 4.978798 1.788855 0.000000 6.701479 4.370315 2.507090 5.843704 4.129062 3.284299 3.285493 1.106828 6.135462 6.980914 6.923419 4.256314 2.996492 3.702965 3.578759 3.087375 4.306370 1.785217 1.785742 0.000000 6.030626 5.137161 3.685939 2.547795 3.500844 3.088068 4.120237 5.537241 1.103988 3.235976 4.075474 2.203794 3.975326 3.412442 4.938818 4.742324 3.505623 6.197795 5.845094 5.998016 0.000000 6.040140 5.679307 4.782534 2.490956 4.127189 4.701530 4.778864 6.678063 1.107060 3.285100 3.219498 3.882466 5.596967 5.075174 5.338429 5.554549 3.924144 7.120973 7.087975 7.237710 1.781282 0.000000 6.078625 5.102283 3.488399 2.565600 3.432664 3.654099 3.090370 5.386916 1.103780 4.071340 3.368838 2.939390 4.402978 4.351019 3.739642 3.803490 2.173581 5.814453 5.992316 5.809604 1.793754 1.781062 0.000000 4.193363 4.140959 4.570314 2.525175 3.318974 4.299924 5.846865 5.897074 3.311321 1.105084 4.130629 4.090490 5.368853 3.829902 6.370015 6.681320 5.632359 6.441270 5.709750 6.715378 3.089350 3.658864 4.319253 0.000000 2.794384 3.666737 5.137120 2.529028 3.367321 5.478759 6.275016 6.293193 4.053458 1.102219 3.384736 5.404136 6.573666 5.113050 6.505404 7.263327 6.105668 6.550639 6.132652 7.272582 4.284353 4.271410 4.965241 1.793443 0.000000 4.414185 4.973951 5.570005 2.510062 4.090755 5.556343 6.409154 7.096115 3.218825 1.106583 3.410315 5.126540 6.644499 5.335535 6.806078 7.347299 5.952056 7.486393 7.088546 7.942641 3.419163 3.041054 4.270563 1.789626 1.794855 0.000000 2.868671 3.638358 5.020892 2.527420 3.315255 6.209386 5.233663 6.210586 4.069339 3.414375 1.102922 6.119243 7.200510 6.392078 4.981192 6.339220 4.973523 6.033420 6.533637 7.162084 4.958306 4.237443 4.387384 4.408423 3.251440 3.753976 0.000000 4.337482 4.219305 4.472023 2.527651 3.333555 5.686569 4.074878 5.891373 3.306001 4.131693 1.105111 5.458345 6.558988 6.166016 3.825795 5.130572 3.598203 5.757355 6.480839 6.657537 4.349041 3.516963 3.200094 4.981352 4.402171 4.400194 1.794358 0.000000 4.420344 4.968548 5.527323 2.513425 4.081514 6.342140 5.472964 7.085475 3.277849 3.377926 1.106562 5.939239 7.337444 6.624037 5.442494 6.520750 4.863474 7.097181 7.492034 7.913219 4.274406 3.009957 3.642809 4.390906 3.658313 3.237162 1.793201 1.790150 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C7H18ClPSi2</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cl"
                                 id="a1"
                                 x3="-2.888929"
                                 y3="-1.67258"
                                 z3="0.002512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="P"
                                 id="a2"
                                 x3="-0.565664"
                                 y3="-1.867778"
                                 z3="-0.029872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a3"
                                 x3="2.04345"
                                 y3="-0.334719"
                                 z3="-0.001093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Si"
                                 id="a4"
                                 x3="-0.882289"
                                 y3="1.37434"
                                 z3="0.000835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="0.095633"
                                 y3="-0.295877"
                                 z3="-0.022801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="2.720851"
                                 y3="0.609637"
                                 z3="-1.522224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="2.64946"
                                 y3="0.442528"
                                 z3="1.64053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="2.690513"
                                 y3="-2.138607"
                                 z3="-0.083633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="0.27877"
                                 y3="2.900861"
                                 z3="-0.062691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-2.004196"
                                 y3="1.460557"
                                 z3="-1.54662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-1.879752"
                                 y3="1.459699"
                                 z3="1.632199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="2.544839"
                                 y3="1.695734"
                                 z3="-1.451768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="3.812254"
                                 y3="0.443927"
                                 z3="-1.598452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="2.255224"
                                 y3="0.239511"
                                 z3="-2.453104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="2.27887"
                                 y3="-0.139169"
                                 z3="2.503495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="3.755566"
                                 y3="0.432807"
                                 z3="1.67039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="2.314746"
                                 y3="1.486729"
                                 z3="1.759013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="2.342183"
                                 y3="-2.746866"
                                 z3="0.770428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="2.383007"
                                 y3="-2.646996"
                                 z3="-1.015171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="3.796948"
                                 y3="-2.125697"
                                 z3="-0.057102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="0.805149"
                                 y3="2.981084"
                                 z3="-1.029789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-0.347772"
                                 y3="3.806811"
                                 z3="0.048131">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="1.02649"
                                 y3="2.916733"
                                 z3="0.749093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-1.403598"
                                 y3="1.371276"
                                 z3="-2.469941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.757692"
                                 y3="0.656177"
                                 z3="-1.536399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-2.52661"
                                 y3="2.435762"
                                 z3="-1.570788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-2.580999"
                                 y3="0.611968"
                                 z3="1.709936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-1.204594"
                                 y3="1.442656"
                                 z3="2.506922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-2.461179"
                                 y3="2.40061"
                                 z3="1.665521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a2 a5" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a9" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a4 a10" order="S"/>
                           <bond atomRefs2="a6 a13" order="S"/>
                           <bond atomRefs2="a6 a14" order="S"/>
                           <bond atomRefs2="a6 a12" order="S"/>
                           <bond atomRefs2="a7 a16" order="S"/>
                           <bond atomRefs2="a7 a15" order="S"/>
                           <bond atomRefs2="a7 a17" order="S"/>
                           <bond atomRefs2="a8 a20" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a8 a18" order="S"/>
                           <bond atomRefs2="a9 a22" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a23" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a10 a24" order="S"/>
                           <bond atomRefs2="a10 a25" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a27" order="S"/>
                        </bondArray>
                        <formula concise="C 7 H 18 Cl 1 P 1 Si 2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">206.6726609999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C7H18PSi2.Cl/c1-9(2,3)7(8)10(4,5)6;/h1-6H3;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,2,3,4;1/E:(1,2,3,4,5,6)(9,10);/CRV:7.3,8.1;/rA:29Cl0P1SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.7051164 0.4712664 0.3489029</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= 7021 NPrTT= 31656 LenC2= 6433 LenP2D= 19024.</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= 178 RedAO= T EigKep= 2.99D-03 NBF= 178</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 178 1.00D-06 EigRej= -1.00D+00 NBFU= 178</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= 171 174 174 175 175 MxSgAt= 29 MxSgA2= 29.</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">-1656.40213561850</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.28560837594</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.116527242568</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.69524152448</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.409633148542</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1655.96026669229</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.734974832189</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.93946857090</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.979201878610</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99043161906</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.050963048158</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99640687284</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.005975253782</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99694530081</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000538427971</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99705477504</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000109474229</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99705804958</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000003274543</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718490499</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000126855403</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718526769</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000362709</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718460845</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000659245</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718540552</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000797075</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718541733</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000011805</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718541818</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000852</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718541830</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000120</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1656.99718541832</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">-1656.99718542</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">18</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.651095485666e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-6.034592836167e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.671322716040e+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=129890018.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      116092 IEndB=      116092 NGot=   402653184 MDV=   275630747</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   275630747 LenY=   275598622</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=  15931 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=    29.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     30 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=11111111111111111111111111111</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= 402652712 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=129782485.</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= 15931 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 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">87 vectors produced by pass 0 Test12= 7.87D-15 1.11D-09 XBig12= 3.84D+02 9.28D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 87 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">87 vectors produced by pass 1 Test12= 7.87D-15 1.11D-09 XBig12= 1.39D+02 2.53D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">87 vectors produced by pass 2 Test12= 7.87D-15 1.11D-09 XBig12= 1.32D+00 3.15D-01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">87 vectors produced by pass 3 Test12= 7.87D-15 1.11D-09 XBig12= 7.69D-04 5.55D-03.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">43 vectors produced by pass 4 Test12= 7.87D-15 1.11D-09 XBig12= 7.97D-08 3.08D-05.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 5 Test12= 7.87D-15 1.11D-09 XBig12= 5.07D-12 3.15D-07.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">2 vectors produced by pass 6 Test12= 7.87D-15 1.11D-09 XBig12= 9.82D-16 6.46D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 3.55D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 396 with 90 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 161.41 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">193.906 8.763 164.887 -0.138 0.156 125.431</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">370.419 52.839 322.469 -0.638 0.882 204.496</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">PT1252.900S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-07-21T23:33:09.000+02:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="60">-100.66879 -76.38473 -65.46234 -65.45118 -9.91461 -9.88473 -9.88410 -9.88237 -9.87821 -9.87003 -9.86896 -9.14706 -6.97079 -6.96067 -6.96005 -6.35996 -5.08216 -5.07099 -4.58029 -4.57454 -4.57130 -3.49376 -3.49210 -3.49181 -3.48258 -3.48103 -3.48055 -0.71896 -0.67371 -0.64853 -0.63749 -0.62365 -0.62066 -0.61231 -0.60868 -0.48673 -0.44040 -0.39728 -0.38298 -0.37773 -0.37717 -0.36977 -0.36537 -0.35956 -0.35581 -0.35544 -0.34741 -0.34586 -0.34356 -0.33596 -0.32115 -0.29597 -0.29331 -0.27597 -0.27425 -0.26492 -0.26420 -0.25233 -0.23372 -0.22785</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="118">-0.10631 -0.08726 0.03665 0.04302 0.04847 0.06002 0.06935 0.07109 0.08489 0.10031 0.11020 0.11238 0.11793 0.12348 0.13353 0.13569 0.14324 0.15168 0.15909 0.17133 0.17390 0.17656 0.18204 0.18432 0.18649 0.19705 0.20063 0.20929 0.22821 0.23520 0.24411 0.25457 0.26274 0.26530 0.26839 0.27730 0.28959 0.29396 0.29463 0.31612 0.33332 0.34068 0.34456 0.36614 0.39057 0.40461 0.40830 0.43324 0.44985 0.46501 0.48156 0.49056 0.50431 0.51049 0.52236 0.53144 0.54646 0.55334 0.58313 0.61646 0.67098 0.67509 0.69718 0.70778 0.76013 0.79921 0.84970 0.86696 0.89402 0.91337 0.92320 0.93281 0.97429 1.02187 1.04132 1.05013 1.06721 1.07255 1.08716 1.10235 1.10645 1.11194 1.11793 1.12427 1.13401 1.14854 1.19561 1.20959 1.22518 1.27578 1.28922 4.60593 4.70150 4.71222 4.96092 4.98662 4.99653 5.02500 5.03673 5.06797 5.53285 5.63732 5.91210 5.93461 5.96230 6.22123 8.64262 22.55510 22.58630 22.58961 22.60429 22.60630 22.61054 22.62437 142.88123 143.00138 166.56525 217.50329</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="29">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="29">Cl P Si Si 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="29">-0.305122 0.482864 1.373171 1.417895 -1.282619 -1.013663 -1.001429 -1.025185 -1.034240 -0.999773 -0.997040 0.251517 0.240423 0.246390 0.247470 0.240288 0.242088 0.246707 0.247183 0.240868 0.237047 0.245415 0.232801 0.233483 0.270502 0.230386 0.267734 0.233649 0.231189</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="11">1 2 3 4 5 6 7 8 9 10 11</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="11">Cl P Si Si C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="11">-0.305122 0.482864 1.373171 1.417895 -1.282619 -0.275333 -0.271583 -0.290427 -0.318977 -0.265402 -0.264468</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.dipole">
                     <array cmlx:templateRef="dipole"
                            dataType="xsd:double"
                            dictRef="x:d"
                            size="3">1.52712463e+00 8.32257284e-01 1.19950177e-03</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
                            size="6">1.93905749e+02 8.76281877e+00 1.64886918e+02 -1.38181784e-01 1.55575996e-01 1.25431311e+02</array>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="l716.forcematrix">
                     <module cmlx:templateRef="lowfreq">
                        <array cmlx:templateRef="lowfreq"
                               dataType="xsd:double"
                               dictRef="g:1716.lowfreq"
                               size="9">-15.6395 -10.7060 -6.6351 0.0004 0.0018 0.0023 16.2552 38.6607 79.5137</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations">
                        <array dataType="xsd:integer" dictRef="x:serial" size="81">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:irrep"
                               size="81">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>
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                        <array dataType="xsd:double" id="a1.43" size="3">0.000055459 0.000018916 0.000038922</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.44" size="3">0.000033990 0.000001419 0.000004620</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.45" size="3">-0.000007556 0.000106451 -0.000199589</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.46" size="3">0.000000212 0.000016302 0.000002210</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.47" size="3">0.000018665 0.000058003 0.000000646</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.48" size="3">0.000042100 -0.000025426 0.000028101</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.49" size="3">-0.000032982 0.000030956 -0.000000168</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.50" size="3">-0.000021840 0.000014210 -0.000025251</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.51" size="3">-0.000023016 -0.000016471 0.000079538</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.52" size="3">0.000009316 -0.000000524 0.000011506</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.53" size="3">0.000009153 -0.000090637 -0.000045757</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.54" size="3">0.000024161 -0.000004574 0.000025829</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.55" size="3">-0.000071121 0.000075735 0.000149019</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.56" size="3">-0.000016977 -0.000034947 0.000016883</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.57" size="3">-0.000012247 -0.000005173 0.000000492</array>
                     </property>
                  </atom>
                  <atom elementType="P"
                        id="a2"
                        x3="0.181048"
                        y3="-1.918549"
                        z3="1.116973"/>
                  <atom elementType="Si"
                        id="a3"
                        x3="-1.890328"
                        y3="0.0003"
                        z3="0.027939"/>
                  <atom elementType="Si"
                        id="a4"
                        x3="1.374198"
                        y3="0.907855"
                        z3="0.021365"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-0.020156"
                        y3="-0.371525"
                        z3="0.428154"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.441988"
                        y3="1.582702"
                        z3="0.953247"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-2.081446"
                        y3="0.187553"
                        z3="-1.86803"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.011299"
                        y3="-1.446481"
                        z3="0.60219"/>
                  <atom elementType="C"
                        id="a9"
                        x3="0.675322"
                        y3="2.548165"
                        z3="-0.688083"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.304801"
                        y3="1.347936"
                        z3="1.634137"/>
                  <atom elementType="C"
                        id="a11"
                        x3="2.525362"
                        y3="0.137277"
                        z3="-1.299467"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-1.968999"
                        y3="2.491229"
                        z3="0.54531"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-3.538723"
                        y3="1.696409"
                        z3="0.860118"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.197685"
                        y3="1.513811"
                        z3="2.028379"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.79416"
                        y3="-0.748431"
                        z3="-2.379711"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.13821"
                        y3="0.402938"
                        z3="-2.115648"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-1.46309"
                        y3="1.006029"
                        z3="-2.273196"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.753511"
                        y3="-2.398066"
                        z3="0.103426"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-2.956047"
                        y3="-1.605342"
                        z3="1.694203"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.062541"
                        y3="-1.209448"
                        z3="0.349653"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.090762"
                        y3="3.108393"
                        z3="0.062399"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.533977"
                        y3="3.183522"
                        z3="-0.978971"/>
                  <atom elementType="H"
                        id="a23"
                        x3="0.051704"
                        y3="2.405985"
                        z3="-1.587647"/>
                  <atom elementType="H"
                        id="a24"
                        x3="1.607591"
                        y3="1.755032"
                        z3="2.388711"/>
                  <atom elementType="H"
                        id="a25"
                        x3="2.806018"
                        y3="0.462447"
                        z3="2.057903"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.068447"
                        y3="2.120059"
                        z3="1.421541"/>
                  <atom elementType="H"
                        id="a27"
                        x3="2.971988"
                        y3="-0.802193"
                        z3="-0.932917"/>
                  <atom elementType="H"
                        id="a28"
                        x3="1.968823"
                        y3="-0.074347"
                        z3="-2.230461"/>
                  <atom elementType="H"
                        id="a29"
                        x3="3.342176"
                        y3="0.843726"
                        z3="-1.540766"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a6 a13" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a11 a27" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">206.6726609999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C7H18PSi2.Cl/c1-9(2,3)7(8)10(4,5)6;/h1-6H3;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:6,7,8,9,10,11,5,2,3,4;1/E:(1,2,3,4,5,6)(9,10);/CRV:7.3,8.1;/rA:29Cl0P1SiSiC3CCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;s2s3s4;s3;s3;s3;s4;s4;s4;s6;s6;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
