<?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-KIMIK2124</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000085265</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">13-Jun-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(6D, 10F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">opt=(loose)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">pop=(full,Hirshfeld,</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">NPA)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GFInput</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="2.1544"
                        y3="-0.4192"
                        z3="0.3659"/>
                  <atom elementType="O" id="a2" x3="2.3259" y3="1.2456" z3="0.5387"/>
                  <atom elementType="O"
                        id="a3"
                        x3="3.4361"
                        y3="-1.0158"
                        z3="-0.5466"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-4.3568"
                        y3="-0.3787"
                        z3="-0.5054"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.2557"
                        y3="0.5488"
                        z3="1.2966"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.5149"
                        y3="-0.8123"
                        z3="-0.4476"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-0.7234"
                        y3="-0.2665"
                        z3="0.2773"/>
                  <atom elementType="C"
                        id="a8"
                        x3="2.1557"
                        y3="-1.2530"
                        z3="2.0593"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.0216"
                        y3="-0.5848"
                        z3="-0.4667"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.3511"
                        y3="2.0783"
                        z3="-0.6117"/>
                  <atom elementType="C"
                        id="a11"
                        x3="4.7645"
                        y3="-0.8521"
                        z3="-0.0710"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-3.2553"
                        y3="-0.0691"
                        z3="0.2407"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.5135"
                        y3="3.5186"
                        z3="-0.1745"/>
                  <atom elementType="C"
                        id="a14"
                        x3="5.7239"
                        y3="-1.4701"
                        z3="-1.0657"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-5.6071"
                        y3="0.0749"
                        z3="0.0235"/>
                  <atom elementType="C"
                        id="a16"
                        x3="-6.7200"
                        y3="-0.3447"
                        z3="-0.9129"/>
                  <atom elementType="H"
                        id="a17"
                        x3="0.4252"
                        y3="-1.9014"
                        z3="-0.5378"/>
                  <atom elementType="H"
                        id="a18"
                        x3="0.5336"
                        y3="-0.4171"
                        z3="-1.4702"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-0.7800"
                        y3="-0.6845"
                        z3="1.2907"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-0.6391"
                        y3="0.8215"
                        z3="0.3997"/>
                  <atom elementType="H"
                        id="a21"
                        x3="3.0858"
                        y3="-1.0392"
                        z3="2.5936"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.3231"
                        y3="-0.8891"
                        z3="2.6682"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.0588"
                        y3="-2.3371"
                        z3="1.9513"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-1.9891"
                        y3="-0.1319"
                        z3="-1.4642"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.1237"
                        y3="-1.6707"
                        z3="-0.5738"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.1888"
                        y3="1.8026"
                        z3="-1.2638"/>
                  <atom elementType="H"
                        id="a27"
                        x3="1.4156"
                        y3="1.9794"
                        z3="-1.1754"/>
                  <atom elementType="H"
                        id="a28"
                        x3="4.8889"
                        y3="-1.3501"
                        z3="0.8981"/>
                  <atom elementType="H"
                        id="a29"
                        x3="5.0013"
                        y3="0.2128"
                        z3="0.0437"/>
                  <atom elementType="H"
                        id="a30"
                        x3="1.6901"
                        y3="3.8173"
                        z3="0.4829"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.4391"
                        y3="3.6462"
                        z3="0.3965"/>
                  <atom elementType="H"
                        id="a32"
                        x3="2.5365"
                        y3="4.1893"
                        z3="-1.0380"/>
                  <atom elementType="H"
                        id="a33"
                        x3="5.5060"
                        y3="-2.5346"
                        z3="-1.2020"/>
                  <atom elementType="H"
                        id="a34"
                        x3="5.6203"
                        y3="-0.9957"
                        z3="-2.0472"/>
                  <atom elementType="H"
                        id="a35"
                        x3="6.7591"
                        y3="-1.3623"
                        z3="-0.7297"/>
                  <atom elementType="H"
                        id="a36"
                        x3="-5.7679"
                        y3="-0.3693"
                        z3="1.0122"/>
                  <atom elementType="H"
                        id="a37"
                        x3="-5.5909"
                        y3="1.1668"
                        z3="0.1134"/>
                  <atom elementType="H"
                        id="a38"
                        x3="-6.5632"
                        y3="0.0771"
                        z3="-1.9112"/>
                  <atom elementType="H"
                        id="a39"
                        x3="-6.7374"
                        y3="-1.4337"
                        z3="-1.0272"/>
                  <atom elementType="H"
                        id="a40"
                        x3="-7.6924"
                        y3="-0.0133"
                        z3="-0.5381"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a27" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a13 a30" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a14 a34" order="S"/>
                  <bond atomRefs2="a14 a35" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
               </bondArray>
               <formula concise="C 11 H 24 O 4 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</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/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/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-1034.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=000085265.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=8</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=31GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p 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">000085265</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="40">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="40">28 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="40">27.9769284 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="40">0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="40">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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="39">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">1 1 1 1 2 3 4 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">2 3 6 8 10 11 12 15 12 7 17 18 9 19 20 21 22 23 12 24 25 13 26 27 14 28 29 30 31 32 33 34 35 16 36 37 38 39 40</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="39">1.6825 1.6827 1.872 1.8875 1.4204 1.4204 1.366 1.4313 1.2234 1.5352 1.0965 1.0965 1.5298 1.0977 1.0981 1.0937 1.0938 1.0938 1.5127 1.096 1.0959 1.5139 1.0968 1.0967 1.5139 1.0966 1.0969 1.0952 1.095 1.0936 1.0951 1.095 1.0937 1.5138 1.0958 1.0957 1.095 1.0951 1.0936</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="72">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="72">2 2 2 3 3 6 1 1 12 1 1 1 7 7 17 6 6 6 9 9 19 1 1 1 21 21 22 7 7 7 12 12 24 2 2 2 13 13 26 3 3 3 14 14 28 4 4 5 10 10 10 30 30 31 11 11 11 33 33 34 4 4 4 16 16 36 15 15 15 38 38 39</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="72">1 1 1 1 1 1 2 3 4 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 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="72">3 6 8 6 8 8 10 11 15 7 17 18 17 18 18 9 19 20 19 20 20 21 22 23 22 23 23 12 24 25 24 25 25 13 26 27 26 27 27 14 28 29 28 29 29 5 9 9 30 31 32 31 32 32 33 34 35 34 35 35 16 36 37 36 37 37 38 39 40 39 40 40</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="72">109.2008 109.9797 110.1744 110.916 109.2306 107.3203 119.9148 119.3353 115.5146 115.2513 108.4194 108.3408 109.0253 109.0259 106.4197 112.3889 110.0075 110.0578 109.0271 108.9968 106.1618 110.6401 110.6058 110.4376 108.0793 108.501 108.4987 113.1866 109.3598 109.4361 107.994 107.9089 108.8609 109.0111 110.3482 110.3838 109.2024 109.0103 108.8593 109.0038 110.4651 110.4128 108.8668 109.1598 108.9027 125.8481 108.963 125.173 110.6206 110.6172 110.9587 106.9017 108.8147 108.8135 110.6404 110.6168 110.9622 106.9022 108.8074 108.7965 109.0128 109.4588 109.4634 109.7489 109.7459 109.3967 110.6037 110.6028 110.9604 106.8677 108.8477 108.8443</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="72">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="86">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 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="86">3 6 8 2 6 8 2 2 2 3 3 3 8 8 8 2 2 2 3 3 3 6 6 6 1 1 1 1 1 1 15 15 12 12 12 1 1 1 17 17 17 18 18 18 6 6 6 19 19 19 20 20 20 7 7 24 24 25 25 2 2 2 26 26 26 27 27 27 3 3 3 28 28 28 29 29 29 4 4 4 36 36 36 37 37 37</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="86">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15 15</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="86">2 2 2 3 3 3 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 10 10 10 11 11 11 12 12 15 15 15 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="86">10 10 10 11 11 11 7 17 18 7 17 18 7 17 18 21 22 23 21 22 23 21 22 23 13 26 27 14 28 29 5 9 16 36 37 9 19 20 9 19 20 9 19 20 12 24 25 12 24 25 12 24 25 4 5 4 5 4 5 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 38 39 40 38 39 40 38 39 40</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="86">60.031 -61.8968 179.9996 60.5421 -178.0965 -60.0059 -56.9296 -179.4069 65.4879 -177.832 59.6907 -55.4146 62.9233 -59.554 -174.6592 -59.0433 60.6865 -179.191 60.9072 -179.3629 -59.2404 -178.772 -59.0421 61.0803 179.9974 -60.0808 60.2901 -179.9981 60.426 -60.0939 -0.0005 -178.6091 179.9987 -59.9491 59.9473 178.0904 -60.2255 56.4092 -59.757 61.9271 178.5618 56.0403 177.7245 -65.6409 179.3178 -60.2378 58.9279 57.0766 177.5211 -63.3132 -58.3985 62.046 -178.7883 178.9702 0.35 57.7522 -120.8681 -59.7749 121.6048 -59.1059 59.1528 -179.9785 -179.7334 -61.4747 59.3941 61.4486 179.7073 -59.4239 -59.0858 59.1858 -179.9648 61.4768 179.7483 -59.4022 -179.7617 -61.4901 59.3593 -59.096 59.1009 -179.9999 -178.9689 -60.772 60.1271 60.7809 178.9778 -60.1231</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="86">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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">207</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">240</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">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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= 11026 NPrTT= 53708 LenC2= 9295 LenP2D= 28306.</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= 216 RedAO= T EigKep= 2.90D-03 NBF= 216</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 216 1.00D-06 EigRej= -1.00D+00 NBFU= 216</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 15 out of a maximum of 207</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="114">0.00078 0.00239 0.00306 0.00371 0.00583 0.00583 0.00584 0.00606 0.01050 0.01218 0.01299 0.01903 0.02141 0.02608 0.03556 0.03631 0.03729 0.04518 0.04754 0.04862 0.05066 0.05206 0.05393 0.05404 0.05431 0.05492 0.05687 0.05699 0.05739 0.05741 0.05809 0.05813 0.05837 0.05849 0.05928 0.06006 0.06826 0.08088 0.08244 0.09546 0.09679 0.10395 0.11219 0.11268 0.11422 0.12134 0.12640 0.13225 0.13578 0.13645 0.13657 0.15463 0.15901 0.15996 0.15999 0.16000 0.16000 0.16000 0.16001 0.16008 0.16051 0.16246 0.16494 0.17400 0.20160 0.20537 0.21248 0.21844 0.21874 0.21966 0.22040 0.22764 0.24206 0.24327 0.24963 0.25045 0.26317 0.29010 0.29501 0.30679 0.30961 0.31003 0.31552 0.33773 0.33913 0.33944 0.33989 0.34029 0.34052 0.34060 0.34068 0.34118 0.34143 0.34158 0.34162 0.34225 0.34230 0.34233 0.34238 0.34248 0.34292 0.34354 0.34361 0.34393 0.34418 0.34469 0.35423 0.36714 0.37466 0.39354 0.42391 0.42615 0.51495 0.92139</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-1.15148340D-08.</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">0.00227814 0.00000248 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00000152 0.00000001 0.00000001</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="197">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 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 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="197">3.28874 3.28848 3.59625 3.57564 2.77252 2.77512 2.64421 2.82796 2.36738 2.92608 2.09478 2.09586 2.91396 2.09149 2.09135 2.08686 2.08694 2.08713 2.87482 2.09325 2.09333 2.89121 2.09796 2.10124 2.89091 2.09981 2.09820 2.08560 2.08574 2.09081 2.08574 2.08578 2.09075 2.88221 2.08846 2.08853 2.08518 2.08519 2.08883 1.93020 1.94801 1.79896 1.80121 1.96565 2.02367 2.18376 2.17815 2.02629 1.99126 1.88019 1.88342 1.92914 1.92703 1.84631 1.95077 1.92970 1.92835 1.89987 1.90761 1.84428 1.93089 1.92684 1.94377 1.87477 1.89283 1.89280 1.97226 1.93566 1.93406 1.88813 1.88666 1.84151 1.88582 1.91741 1.92093 1.93248 1.92690 1.88059 1.88555 1.91707 1.91800 1.92831 1.93287 1.88228 2.14529 1.92771 2.21018 1.92491 1.92370 1.93165 1.88791 1.89783 1.89694 1.92406 1.92477 1.93166 1.88802 1.89721 1.89720 1.86328 1.89089 1.89043 1.96580 1.96539 1.88547 1.93626 1.93582 1.91691 1.89112 1.89125 1.89127 1.08033 -0.91431 -3.09791 1.10150 -3.09617 -0.90092 -1.06025 3.07424 1.08813 -3.13344 1.00105 -0.98505 0.99232 -1.15637 3.14071 -0.97973 1.09315 -3.08627 1.10080 -3.10951 -1.00575 -3.11328 -1.04040 1.06337 3.09858 -1.07467 0.99334 -3.10589 1.07280 -0.99529 -0.00078 3.13843 -3.12573 -1.00433 1.03680 3.13181 -1.03197 1.00346 -1.02950 1.08991 3.12534 1.00729 3.12670 -1.12105 3.12191 -1.03773 1.00145 0.98535 3.10890 -1.13511 -1.02106 1.10249 -3.14152 -3.13833 0.00077 0.99475 -2.14933 -0.99134 2.14776 -1.04187 1.04153 3.14047 3.14080 -1.05899 1.03995 1.05964 -3.14015 -1.04121 -1.03614 1.04754 -3.13567 1.06131 -3.13819 -1.03821 -3.13745 -1.05377 1.04621 -1.05062 1.05204 -3.14101 -3.12387 -1.02120 1.06893 1.02182 3.12449 -1.06857</array>
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                        <array dataType="xsd:double" dictRef="cc:delta.linear" size="197">0.00011 -0.00006 0.00001 -0.00003 -0.00012 -0.00010 -0.00005 -0.00031 0.00003 -0.00004 -0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00003 0.00001 0.00001 -0.00008 0.00002 0.00000 0.00002 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00003 0.00002 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00003 -0.00015 -0.00012 0.00019 0.00006 0.00018 0.00022 0.00011 0.00005 0.00003 -0.00009 -0.00001 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00003 0.00000 -0.00002 0.00004 -0.00011 0.00004 0.00003 0.00004 -0.00003 0.00003 -0.00002 0.00002 -0.00001 0.00002 -0.00006 0.00002 0.00003 0.00011 -0.00006 -0.00003 -0.00006 0.00003 0.00003 0.00001 -0.00002 -0.00001 -0.00004 -0.00001 0.00004 -0.00002 0.00002 -0.00006 0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00004 0.00001 0.00002 0.00000 0.00000 0.00008 0.00010 0.00009 -0.00006 -0.00008 -0.00011 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00113 0.00126 0.00127 -0.00082 -0.00086 -0.00075 0.00066 0.00062 0.00065 0.00072 0.00068 0.00071 0.00053 0.00049 0.00052 0.00136 0.00135 0.00126 0.00137 0.00136 0.00127 0.00140 0.00139 0.00130 -0.00206 -0.00210 -0.00210 -0.00011 -0.00013 -0.00010 0.00001 0.00007 0.00004 0.00007 0.00004 0.00005 0.00008 0.00006 0.00011 0.00014 0.00012 0.00012 0.00014 0.00013 0.00046 0.00046 0.00039 0.00044 0.00045 0.00038 0.00045 0.00045 0.00038 0.00050 0.00056 0.00051 0.00057 0.00057 0.00063 -0.00028 -0.00028 -0.00032 -0.00029 -0.00029 -0.00033 -0.00015 -0.00015 -0.00019 -0.00013 -0.00012 -0.00014 -0.00009 -0.00007 -0.00010 -0.00015 -0.00014 -0.00016 0.00012 0.00013 0.00013 -0.00001 0.00000 0.00000 0.00024 0.00025 0.00025</array>
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                        <array dataType="xsd:double" dictRef="cc:newval" size="197">3.28880 3.28836 3.59627 3.57563 2.77243 2.77503 2.64419 2.82771 2.36740 2.92609 2.09478 2.09585 2.91394 2.09149 2.09135 2.08685 2.08696 2.08713 2.87478 2.09327 2.09333 2.89123 2.09797 2.10125 2.89092 2.09982 2.09820 2.08559 2.08574 2.09081 2.08574 2.08578 2.09075 2.88224 2.08848 2.08855 2.08518 2.08519 2.08882 1.93022 1.94806 1.79882 1.80107 1.96581 2.02373 2.18394 2.17841 2.02639 1.99136 1.88019 1.88331 1.92911 1.92706 1.84631 1.95074 1.92970 1.92841 1.89987 1.90760 1.84426 1.93091 1.92676 1.94381 1.87479 1.89287 1.89277 1.97230 1.93560 1.93408 1.88813 1.88670 1.84146 1.88584 1.91741 1.92104 1.93242 1.92689 1.88054 1.88557 1.91710 1.91798 1.92831 1.93286 1.88225 2.14526 1.92774 2.21018 1.92494 1.92365 1.93166 1.88791 1.89784 1.89693 1.92407 1.92475 1.93166 1.88804 1.89722 1.89720 1.86334 1.89097 1.89052 1.96574 1.96531 1.88538 1.93624 1.93582 1.91690 1.89112 1.89125 1.89128 1.08196 -0.91256 -3.09616 1.10037 -3.09731 -0.90199 -1.05905 3.07542 1.08936 -3.13220 1.00226 -0.98379 0.99342 -1.15530 -3.14135 -0.97800 1.09487 -3.08462 1.10255 -3.10777 -1.00407 -3.11154 -1.03868 1.06502 3.09617 -1.07715 0.99087 -3.10585 1.07281 -0.99525 -0.00073 3.13854 -3.12568 -1.00426 1.03686 3.13197 -1.03184 1.00361 -1.02929 1.09009 3.12554 1.00751 3.12688 -1.12085 3.12234 -1.03731 1.00178 0.98581 3.10934 -1.13475 -1.02057 1.10296 -3.14113 -3.13747 0.00169 0.99567 -2.14835 -0.99039 2.14878 -1.04222 1.04118 3.14009 3.14047 -1.05931 1.03959 1.05942 -3.14037 -1.04146 -1.03625 1.04745 -3.13578 1.06125 -3.13824 -1.03828 -3.13755 -1.05386 1.04610 -1.05045 1.05221 -3.14083 -3.12380 -1.02113 1.06901 1.02209 3.12476 -1.06828</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">0.000021 0.000004 0.009768 0.002278</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">-5.341230e-08</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="39">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">1 1 1 1 2 3 4 4 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">2 3 6 8 10 11 12 15 12 7 17 18 9 19 20 21 22 23 12 24 25 13 26 27 14 28 29 30 31 32 33 34 35 16 36 37 38 39 40</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="39">1.7403 1.7402 1.9031 1.8921 1.4672 1.4685 1.3993 1.4965 1.2528 1.5484 1.1085 1.1091 1.542 1.1068 1.1067 1.1043 1.1044 1.1045 1.5213 1.1077 1.1077 1.53 1.1102 1.1119 1.5298 1.1112 1.1103 1.1036 1.1037 1.1064 1.1037 1.1037 1.1064 1.5252 1.1052 1.1052 1.1034 1.1034 1.1054</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="72">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="72">2 2 2 3 3 6 1 1 12 1 1 1 7 7 17 6 6 6 9 9 19 1 1 1 21 21 22 7 7 7 12 12 24 2 2 2 13 13 26 3 3 3 14 14 28 4 4 5 10 10 10 30 30 31 11 11 11 33 33 34 4 4 4 16 16 36 15 15 15 38 38 39</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="72">1 1 1 1 1 1 2 3 4 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 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="72">3 6 8 6 8 8 10 11 15 7 17 18 17 18 18 9 19 20 19 20 20 21 22 23 22 23 23 12 24 25 24 25 25 13 26 27 26 27 27 14 28 29 28 29 29 5 9 9 30 31 32 31 32 32 33 34 35 34 35 35 16 36 37 36 37 37 38 39 40 39 40 40</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="72">110.5922 111.6126 103.0731 103.202 112.6234 115.9475 125.1201 124.7988 116.0981 114.0908 107.727 107.9122 110.5315 110.4107 105.7858 111.771 110.5636 110.4865 108.8547 109.2979 105.6693 110.6321 110.3999 111.3699 107.4166 108.4512 108.4494 113.002 110.9051 110.8132 108.1821 108.0977 105.5108 108.0497 109.8593 110.0613 110.7229 110.4033 107.75 108.0342 109.8399 109.8931 110.4841 110.7452 107.8468 122.9161 110.4497 126.634 110.2892 110.2196 110.6754 108.1691 108.7376 108.6866 110.2404 110.2811 110.6762 108.1758 108.7023 108.7015 106.7581 108.34 108.3137 112.6321 112.6083 108.0294 110.9395 110.914 109.8306 108.3533 108.3606 108.3617</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="72">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="85">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 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="85">3 6 8 2 6 8 2 2 2 3 3 3 8 8 8 2 2 2 3 3 3 6 6 6 1 1 1 1 1 1 15 15 12 12 12 1 1 1 17 17 17 18 18 18 6 6 6 19 19 19 20 20 20 7 7 24 24 25 25 2 2 2 26 26 26 27 27 27 3 3 3 28 28 28 29 29 29 4 4 4 36 36 36 37 37</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="85">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 15 15</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="85">2 2 2 3 3 3 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 10 10 10 11 11 11 12 12 15 15 15 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="85">10 10 10 11 11 11 7 17 18 7 17 18 7 17 18 21 22 23 21 22 23 21 22 23 13 26 27 14 28 29 5 9 16 36 37 9 19 20 9 19 20 9 19 20 12 24 25 12 24 25 12 24 25 4 5 4 5 4 5 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 38 39 40 38 39 40 38 39</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="85">61.8986 -52.3864 -177.4969 63.1115 -177.3975 -51.6191 -60.748 176.1408 62.3453 -179.5327 57.3561 -56.4393 56.8558 -66.2554 -180.0508 -56.1346 62.6329 -176.8305 63.071 -178.1616 -57.625 -178.3778 -59.6103 60.9263 177.5356 -61.5739 56.9144 -177.9542 61.467 -57.0258 -0.0445 179.819 -179.0911 -57.5437 59.4043 179.4392 -59.1278 57.4942 -58.986 62.447 179.069 57.7136 179.1466 -64.2314 178.8721 -59.4578 57.3787 56.4564 178.1266 -65.037 -58.5022 63.168 -179.9956 -179.8131 0.0441 56.9952 -123.1475 -56.7994 123.0578 -59.6946 59.6755 179.9358 179.9543 -60.6756 59.5848 60.7127 -179.9172 -59.6569 -59.3666 60.0198 -179.6606 60.8087 -179.8049 -59.4853 -179.7627 -60.3763 59.9433 -60.1963 60.2777 -179.9667 -178.9843 -58.5102 61.2454 58.5458 179.0198</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="85">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.1544"
                                 y3="-0.4192"
                                 z3="0.3659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.3259" y3="1.2456" z3="0.5387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.4361"
                                 y3="-1.0158"
                                 z3="-0.5466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-4.3568"
                                 y3="-0.3787"
                                 z3="-0.5054">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.2557"
                                 y3="0.5488"
                                 z3="1.2966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.5149"
                                 y3="-0.8123"
                                 z3="-0.4476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-0.7234"
                                 y3="-0.2665"
                                 z3="0.2773">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="2.1557"
                                 y3="-1.2530"
                                 z3="2.0593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.0216"
                                 y3="-0.5848"
                                 z3="-0.4667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="2.3511"
                                 y3="2.0783"
                                 z3="-0.6117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="4.7645"
                                 y3="-0.8521"
                                 z3="-0.0710">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-3.2553"
                                 y3="-0.0691"
                                 z3="0.2407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.5135"
                                 y3="3.5186"
                                 z3="-0.1745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="5.7239"
                                 y3="-1.4701"
                                 z3="-1.0657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-5.6071"
                                 y3="0.0749"
                                 z3="0.0235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-6.7200"
                                 y3="-0.3447"
                                 z3="-0.9129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="0.4252"
                                 y3="-1.9014"
                                 z3="-0.5378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="0.5336"
                                 y3="-0.4171"
                                 z3="-1.4702">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-0.7800"
                                 y3="-0.6845"
                                 z3="1.2907">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-0.6391"
                                 y3="0.8215"
                                 z3="0.3997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="3.0858"
                                 y3="-1.0392"
                                 z3="2.5936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.3231"
                                 y3="-0.8891"
                                 z3="2.6682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.0588"
                                 y3="-2.3371"
                                 z3="1.9513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-1.9891"
                                 y3="-0.1319"
                                 z3="-1.4642">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.1237"
                                 y3="-1.6707"
                                 z3="-0.5738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="3.1888"
                                 y3="1.8026"
                                 z3="-1.2638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="1.4156"
                                 y3="1.9794"
                                 z3="-1.1754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="4.8889"
                                 y3="-1.3501"
                                 z3="0.8981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="5.0013"
                                 y3="0.2128"
                                 z3="0.0437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="1.6901"
                                 y3="3.8173"
                                 z3="0.4829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.4391"
                                 y3="3.6462"
                                 z3="0.3965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="2.5365"
                                 y3="4.1893"
                                 z3="-1.0380">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="5.5060"
                                 y3="-2.5346"
                                 z3="-1.2020">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="5.6203"
                                 y3="-0.9957"
                                 z3="-2.0472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="6.7591"
                                 y3="-1.3623"
                                 z3="-0.7297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-5.7679"
                                 y3="-0.3693"
                                 z3="1.0122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.5909"
                                 y3="1.1668"
                                 z3="0.1134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-6.5632"
                                 y3="0.0771"
                                 z3="-1.9112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="-6.7374"
                                 y3="-1.4337"
                                 z3="-1.0272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="-7.6924"
                                 y3="-0.0133"
                                 z3="-0.5381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a11" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a10 a13" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a10 a27" order="S"/>
                           <bond atomRefs2="a11 a14" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a13 a30" order="S"/>
                           <bond atomRefs2="a13 a31" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a14 a34" order="S"/>
                           <bond atomRefs2="a14 a35" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a39" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 24 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/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"
                            dictRef="cc:rotconst"
                            size="3">0.8762736 0.1467259 0.1374561</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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                            delimiter="|"
                            dictRef="cc:occupation"
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                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">27  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">28  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">29  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">30  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">31  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">32  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">33  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">34  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">35  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">36  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">37  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">38  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">39  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">40  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                     </list>
                  </module>
                  <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="216">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216</array>
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="x:label"
                            size="216">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17  H  1S|2S|18  H  1S|2S|19  H  1S|2S|20  H  1S|2S|21  H  1S|2S|22  H  1S|2S|23  H  1S|2S|24  H  1S|2S|25  H  1S|2S|26  H  1S|2S|27  H  1S|2S|28  H  1S|2S|29  H  1S|2S|30  H  1S|2S|31  H  1S|2S|32  H  1S|2S|33  H  1S|2S|34  H  1S|2S|35  H  1S|2S|36  H  1S|2S|37  H  1S|2S|38  H  1S|2S|39  H  1S|2S|40  H  1S|2S</array>
                     <matrix cols="1"
                             dataType="xsd:double"
                             dictRef="g:totaloccup"
                             rows="216">0.74954 1.22055 0.89652 1.08371 0.83805 0.12865 1.97570 1.97211 1.97607 0.00985 0.01263 0.00992 0.44379 0.37738 0.44877 0.11086 0.10519 0.12559 1.13217 0.85970 0.91376 0.95090 1.28868 1.08800 1.11129 0.52470 0.32589 0.38332 1.13217 0.85971 0.91391 0.94868 1.00037 1.26518 1.22321 0.23154 0.51268 0.48620 1.13232 0.85932 0.94938 0.87649 0.99782 1.24531 1.21250 0.11843 0.43834 0.39775 1.13248 0.85920 0.97537 0.84145 1.31430 1.02808 1.05688 0.43857 0.32624 0.24196 1.17414 0.81428 0.69674 0.80006 0.91153 0.91005 0.91575 0.19454 0.26430 0.21787 1.17424 0.81426 0.72092 0.61018 0.83897 0.92989 0.90449 0.02982 0.18086 0.13251 1.17409 0.81442 0.70351 0.82389 0.91960 0.92025 0.94733 0.24743 0.24968 0.28005 1.17421 0.81411 0.72686 0.63349 0.86281 0.92812 0.91220 0.08033 0.20171 0.17263 1.17434 0.81429 0.74530 0.57220 0.96627 0.84859 0.79903 0.17349 0.04058 0.08852 1.17434 0.81429 0.74529 0.57306 0.73163 0.96062 0.92241 0.00967 0.15570 0.12839 1.17457 0.81393 0.80464 0.22427 0.86969 0.76683 0.83059 0.04956 0.14842 0.10115 1.17421 0.81431 0.72856 0.66485 0.93453 0.87378 0.92204 0.24212 0.12290 0.20082 1.17421 0.81431 0.72850 0.66403 0.90316 0.92337 0.90359 0.16762 0.22024 0.17929 1.17432 0.81426 0.74895 0.57221 0.74181 0.95273 0.92916 0.01552 0.16681 0.11834 1.17418 0.81434 0.72680 0.67194 0.89712 0.93181 0.90860 0.15970 0.21817 0.18006 0.51038 0.24512 0.51158 0.24874 0.51652 0.25859 0.51549 0.25352 0.50719 0.24761 0.50576 0.23565 0.50568 0.24708 0.51177 0.24825 0.51179 0.24869 0.52226 0.27047 0.52340 0.28299 0.52290 0.28032 0.52208 0.27381 0.51247 0.25911 0.51273 0.26223 0.51347 0.28621 0.51280 0.26115 0.51292 0.26276 0.51343 0.28551 0.51811 0.25850 0.51814 0.25871 0.51269 0.25907 0.51262 0.25887 0.51191 0.27282</matrix>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-0.8097 -0.5314 -1.5434</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">1.8221</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-87.5623 -105.2310 -111.5654</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">2.0237 4.4945 -7.6358</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">13.8906 -3.7781 -10.1125 2.0237 4.4945 -7.6358</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-138.9018 9.5226 -9.9729 -22.6872 3.4557 -1.6998 -13.5496 2.6411 -4.9065 -3.0880</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7535.9102 -1231.5177 -621.5319 -22.4846 6.4328 31.6408 6.8435 -22.1266 8.6764 -1663.6483 -1615.9844 -319.5597 -64.7718 -15.7835 17.4002</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.168888"
                                 y3="-0.364207"
                                 z3="0.507574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.414519"
                                 y3="1.354509"
                                 z3="0.627627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.391423"
                                 y3="-1.088505"
                                 z3="-0.496944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-4.389941"
                                 y3="-0.435467"
                                 z3="-0.604905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.347808"
                                 y3="0.55737"
                                 z3="1.228317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.552624"
                                 y3="-0.77907"
                                 z3="-0.407414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-0.721655"
                                 y3="-0.230468"
                                 z3="0.280216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="2.271937"
                                 y3="-0.938045"
                                 z3="2.307663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-1.996468"
                                 y3="-0.584761"
                                 z3="-0.511674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="2.375646"
                                 y3="2.293421"
                                 z3="-0.499085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="4.828384"
                                 y3="-1.09654"
                                 z3="-0.194182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-3.268711"
                                 y3="-0.082175"
                                 z3="0.154005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.579574"
                                 y3="3.705522"
                                 z3="0.05333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="5.552542"
                                 y3="-1.785563"
                                 z3="-1.352258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-5.715708"
                                 y3="-0.004954"
                                 z3="-0.060394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-6.776203"
                                 y3="-0.514686"
                                 z3="-1.030839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="0.495654"
                                 y3="-1.881449"
                                 z3="-0.508952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="0.634768"
                                 y3="-0.38474"
                                 z3="-1.440766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-0.814203"
                                 y3="-0.634493"
                                 z3="1.30644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-0.656686"
                                 y3="0.868208"
                                 z3="0.396263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="3.230012"
                                 y3="-0.627708"
                                 z3="2.760772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.461474"
                                 y3="-0.482708"
                                 z3="2.903848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.188138"
                                 y3="-2.036583"
                                 z3="2.3853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-1.954177"
                                 y3="-0.166537"
                                 z3="-1.536517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.086573"
                                 y3="-1.681045"
                                 z3="-0.642586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="3.171629"
                                 y3="2.038732"
                                 z3="-1.229887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="1.397875"
                                 y3="2.219742"
                                 z3="-1.023416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.010297"
                                 y3="-1.641038"
                                 z3="0.757201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="5.193244"
                                 y3="-0.055777"
                                 z3="-0.065728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="1.784385"
                                 y3="3.95149"
                                 z3="0.778049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.551436"
                                 y3="3.775666"
                                 z3="0.571766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="2.558978"
                                 y3="4.451347"
                                 z3="-0.763652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="5.18072"
                                 y3="-2.817476"
                                 z3="-1.475214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="5.372479"
                                 y3="-1.240121"
                                 z3="-2.294772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="6.642484"
                                 y3="-1.821085"
                                 z3="-1.16561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-5.829008"
                                 y3="-0.428289"
                                 z3="0.954171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.714089"
                                 y3="1.096794"
                                 z3="0.026887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-6.626354"
                                 y3="-0.08921"
                                 z3="-2.037849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="-6.741699"
                                 y3="-1.61475"
                                 z3="-1.109786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="-7.781228"
                                 y3="-0.222448"
                                 z3="-0.675397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a11" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a10 a13" order="S"/>
                           <bond atomRefs2="a10 a27" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a11 a14" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a31" order="S"/>
                           <bond atomRefs2="a13 a30" order="S"/>
                           <bond atomRefs2="a14 a35" order="S"/>
                           <bond atomRefs2="a14 a34" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a39" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 24 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="820">0.000000 1.740325 0.000000 1.740188 2.861349 0.000000 6.652888 7.143096 7.809465 0.000000 5.639389 5.848134 7.148613 2.330765 0.000000 1.903056 3.014982 2.857017 4.958429 4.435658 0.000000 2.902553 3.531067 4.272893 3.779125 2.901080 1.548414 0.000000 1.892149 2.845813 3.023525 7.288089 5.914625 3.217600 3.684128 0.000000 4.293914 4.951321 5.411409 2.399936 2.481563 2.558612 1.541999 5.127646 0.000000 2.849403 1.467156 3.531179 7.295971 6.225409 3.573794 4.070699 4.281467 5.234450 0.000000 2.846347 3.536913 1.468532 9.251120 8.462213 4.292829 5.637204 3.580471 6.851374 4.195321 0.000000 5.456376 5.881113 6.767113 1.399255 1.252765 3.924724 2.554489 6.005792 1.521290 6.158632 8.167810 0.000000 4.115543 2.425762 4.893321 8.133584 6.813612 4.942911 5.142140 5.171012 6.298088 1.529960 5.308314 6.968444 0.000000 4.114406 4.860780 2.426497 10.061523 9.558500 5.186997 6.666996 4.987552 7.689997 5.240103 1.529803 9.109602 6.400487 0.000000 7.913186 8.271766 9.181749 1.496494 2.753895 6.325478 5.010733 8.383366 3.791119 8.422885 10.601290 2.457586 9.088029 11.480982 0.000000 9.077666 9.524378 10.197791 2.425272 4.243463 7.360045 6.201387 9.653687 4.808359 9.587730 11.649249 3.727388 10.320665 12.398241 1.525201 0.000000 2.476906 3.930049 3.002397 5.095989 4.872181 1.108511 2.197809 3.460999 2.809284 4.578647 4.414489 4.224611 5.989418 5.127619 6.504111 7.417568 0.000000 2.479914 3.235854 2.997538 5.094010 4.885948 1.109080 2.196693 4.127612 2.797610 3.330160 4.432498 4.227528 4.769154 5.114160 6.509856 7.423437 1.768549 0.000000 3.100012 3.852475 4.598436 4.059403 2.801035 2.196910 1.106769 3.258658 2.169277 4.691240 5.856974 2.767268 5.650109 6.994932 5.127310 6.404894 2.562474 3.115932 0.000000 3.084657 3.118064 4.584074 4.079105 2.833914 2.195871 1.106696 3.936093 2.174968 3.468129 5.856181 2.790088 4.317561 6.975266 5.154091 6.434089 3.115753 2.571460 1.763899 0.000000 2.504460 3.023991 3.294101 8.332372 6.857153 4.150749 4.682588 1.104321 6.166591 4.459776 3.392102 7.023265 5.150747 4.863311 9.400676 10.701095 4.442936 4.944415 4.297767 4.789059 0.000000 2.501321 3.076499 3.956903 6.822949 5.197919 3.446490 3.422444 1.104363 4.861437 4.485817 4.616348 5.486047 5.188147 6.045553 7.779905 9.129190 3.812675 4.423653 2.784503 3.549585 1.780231 0.000000 2.514570 3.826247 3.264058 7.401081 6.222049 3.472102 4.019990 1.104462 5.292558 5.206128 3.808978 6.210924 6.209917 5.035034 8.519373 9.713165 3.356376 4.447507 3.484802 4.526267 1.792041 1.792055 0.000000 4.606197 5.107114 5.523241 2.621673 3.179710 2.816758 2.196296 5.764806 1.107701 5.086750 6.976382 2.143124 6.170523 7.681538 4.044028 4.860951 3.162038 2.599889 3.098536 2.547513 6.749459 5.611014 6.003040 0.000000 4.600639 5.575649 5.511874 2.618852 3.178285 2.798969 2.195163 5.315320 1.107743 5.977321 6.954088 2.142053 7.160469 7.672720 4.039660 4.848068 2.593437 3.118204 2.552038 3.102011 6.399879 5.157698 5.250491 1.763625 0.000000 3.130236 2.119371 3.219491 7.980577 7.123220 3.933911 4.752614 4.710085 5.840186 1.110192 3.694245 6.920360 2.185260 4.506546 9.193973 10.272241 4.800876 3.514733 5.428254 4.320936 4.799862 5.135178 5.535795 5.588482 6.467639 0.000000 3.100836 2.123237 3.898193 6.381544 5.509564 3.175969 3.492190 4.672439 4.432684 1.111929 4.842907 5.334995 2.182506 5.780300 7.515302 8.619322 4.230656 2.745877 4.297461 2.839605 5.077871 4.767671 5.510006 4.146548 5.244288 1.794881 0.000000 3.125095 3.965874 2.121067 9.574613 8.655222 4.687234 5.922204 3.224399 7.198647 4.898940 1.111171 8.446057 5.915197 2.182827 10.880829 11.974445 4.694992 5.055155 5.936295 6.208163 2.865406 4.306271 3.282034 7.479251 7.233711 4.568361 5.579051 0.000000 3.093628 3.192328 2.121092 9.605847 8.660258 4.709060 5.927581 3.865930 7.222925 3.693966 1.110319 8.464848 4.581792 2.185501 10.909072 12.017058 5.059336 4.772698 6.189279 5.940443 3.488623 4.788190 4.354514 7.298022 7.481310 3.135149 4.527690 1.795476 0.000000 4.341226 2.676566 5.441482 7.699366 6.169456 5.029984 4.900698 5.146355 6.044485 2.174822 5.974426 6.495664 1.103650 7.186862 8.521023 9.823566 6.110677 5.004762 5.297460 3.951103 5.195198 4.928022 6.213155 6.024301 6.980542 3.100789 2.528559 6.456262 5.328271 0.000000 4.365101 2.675388 4.982761 9.065520 7.641208 5.540513 5.864590 5.183582 7.139076 2.173995 5.094670 7.846774 1.103727 6.215591 10.028593 11.297592 6.519871 5.464999 6.248844 5.117852 4.927958 5.285858 6.239369 7.092080 7.939615 2.531234 3.098923 5.612785 4.216858 1.787718 0.000000 4.995773 3.398078 5.608392 8.496683 7.349906 5.613343 5.811334 6.209743 6.795437 2.181801 6.021092 7.440221 1.106408 6.943121 9.424629 10.577263 6.665320 5.248696 6.444331 4.952251 6.218413 6.244996 7.221264 6.503134 7.694286 2.532475 2.528972 6.740855 5.266937 1.796300 1.795789 0.000000 4.361319 5.429481 2.673562 9.900956 9.562136 5.168613 6.679234 5.128688 7.577958 5.911221 2.174122 9.029347 7.186926 1.103727 11.342140 12.184757 4.874387 5.156070 6.960037 7.152761 5.152079 6.201622 4.946605 7.611701 7.402586 5.261120 6.315663 2.529175 3.100611 7.901340 7.093252 7.759874 0.000000 4.345499 4.901229 2.679507 9.940219 9.575309 5.196700 6.692416 5.557609 7.609882 4.969046 2.174657 9.055800 6.145997 1.103749 11.378312 12.235778 5.232961 4.889469 7.184048 6.930913 5.524830 6.549449 5.716420 7.443617 7.652554 4.090061 5.420745 3.099427 2.530500 7.019221 6.057339 6.530921 1.787875 0.000000 4.993506 5.583528 3.398998 11.133226 10.544851 6.224713 7.671442 5.651997 8.751435 5.964840 2.181650 10.148743 6.966810 1.106379 12.539727 13.482804 6.182101 6.183158 7.944886 7.934080 5.337190 6.722694 5.700579 8.762288 8.745834 5.191257 6.622267 2.528567 2.535024 7.791120 6.625457 7.495332 1.795942 1.795951 0.000000 8.010612 8.440423 9.357242 2.121717 2.683847 6.534692 5.155425 8.229040 4.106282 8.765615 10.739892 2.704659 9.412978 11.691941 1.105165 2.201115 6.652350 6.893332 5.031390 5.361444 9.239558 7.546876 8.301167 4.613714 4.257329 9.584768 7.946745 10.908717 11.075604 8.785057 10.286506 9.854952 11.524940 11.691365 12.726802 0.000000 8.031619 8.154850 9.378714 2.121404 2.708080 6.555850 5.172059 8.550971 4.115627 8.194655 10.770484 2.717720 8.694308 11.710977 1.105201 2.200850 6.907819 6.682585 5.351961 5.076023 9.510256 7.890528 8.821867 4.263470 4.617733 9.023454 7.276275 11.092409 10.968450 8.058575 9.660393 8.962233 11.673674 11.565607 12.752292 1.788557 0.000000 9.160300 9.535538 10.184736 2.678576 4.672769 7.394049 6.344986 9.938993 4.900064 9.438259 11.645808 4.009743 10.174582 12.315565 2.178693 1.103428 7.501509 7.291622 6.727756 6.517552 10.975641 9.486210 10.052451 4.699633 5.009023 10.058897 8.411218 12.067814 11.983041 9.746643 11.195301 10.325239 12.131240 12.056642 13.409782 3.114950 2.549896 0.000000 9.142116 9.781178 10.165268 2.678877 4.658683 7.375557 6.331609 9.663463 4.892426 9.938447 11.617818 4.000950 10.795566 12.297818 2.178377 1.103433 7.267146 7.485636 6.475667 6.742451 10.741997 9.202327 9.598726 5.019939 4.678982 10.565814 8.997970 11.899401 12.081528 10.355725 11.740223 11.109453 11.988501 12.177761 13.385890 2.549630 3.114560 1.789379 0.000000 10.021194 10.398939 11.207589 3.398702 4.887479 8.356718 7.123962 10.510797 5.798408 10.465312 12.649029 4.590250 11.104332 13.442131 2.166080 1.105359 8.443149 8.452285 7.255129 7.286775 11.542050 9.914952 10.585235 5.890600 5.878578 11.197566 9.504807 12.949435 12.989857 10.537324 12.081788 11.347776 13.243337 13.292030 14.520311 2.551279 2.550817 1.791022 1.791039 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.7635576 0.1439176 0.1337707</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= 203 204 204 205 205 MxSgAt= 40 MxSgA2= 40.</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</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= 11026 NPrTT= 53708 LenC2= 9227 LenP2D= 27913.</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= 216 RedAO= T EigKep= 3.32D-03 NBF= 216</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 216 1.00D-06 EigRej= -1.00D+00 NBFU= 216</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= 203 203 203 204 204 MxSgAt= 40 MxSgA2= 40.</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">-1022.36545225977</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.56107737892</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.195625119149</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.75622150846</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.195144129541</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.35225309691</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">1.403968411551</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.74549337402</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-1.393240277116</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91007346063</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.164580086607</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91036074876</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000287288135</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91093760855</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000576859787</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91100026491</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000062656360</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109532099</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000095056081</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109488997</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000431024</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109561649</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000726521</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109567023</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000053739</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109569632</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000026096</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109569801</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001688</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109569805</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000041</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.91109569806</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000004</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">-1022.91109570</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">1.019458574491e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-4.942349523537e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.630486575900e+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=279905436.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      161622 IEndB=      161622 NGot=  4160749568 MDV=  3885953181</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  3885953181 LenY=  3885906084</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=  23436 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">-3.18554993e-01 -2.09066069e-01 -6.07232480e-01</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="40">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="40">14 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.030330337 -0.026485535 0.025144939</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003680307 0.007986910 0.023471041</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007057238 -0.009651641 -0.023648200</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002119040 -0.010537537 -0.016401230</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008203019 0.021110857 0.036815973</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002165198 -0.000531233 -0.011033066</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002425777 0.003537655 0.004861654</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004685508 0.009910723 -0.000897049</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005982547 0.000318080 0.004365703</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002157254 0.019419383 -0.010141341</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.023172008 -0.002187362 -0.001733376</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.029349719 -0.015524971 -0.027068787</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000316141 0.004265047 0.004616105</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001053270 -0.003048489 -0.005580887</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.029647924 0.007151281 0.007218130</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002931790 -0.004664367 -0.007271734</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001095172 -0.007823256 -0.002183615</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000981137 0.001039604 -0.009578079</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000786893 -0.000940901 0.005712201</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000176255 0.005510528 0.002180211</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005035350 0.000036580 0.006292270</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004366852 0.002039448 0.004613966</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000395997 -0.006406428 -0.001857548</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001559345 -0.001516490 -0.008088691</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001572958 -0.006364165 -0.005691800</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005188731 -0.003568060 -0.007738656</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007294504 -0.002059819 -0.007479121</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001230877 -0.001868014 0.009975084</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001800556 0.008728671 0.004143026</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005402601 0.001422979 0.002640897</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005939612 0.000335482 0.002089626</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000223881 0.005086027 -0.006056160</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000938528 -0.006156306 0.000586377</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000126415 0.003867106 -0.005043799</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007490312 0.000627795 0.002189573</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000752926 0.000827620 0.008055378</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001494604 0.006484763 0.004741572</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000460807 0.003641746 -0.005463506</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001605168 -0.006300266 0.000413806</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005406717 0.002286555 0.002829114</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.036815973</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.009865434</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">-1022.93119266961</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120838039</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000015710782</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120834515</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000035241</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120841826</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000073107</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120844551</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000027253</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120844745</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001934</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120844751</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000060</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93120844751</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000001</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">-1022.93120845</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">1.018249930340e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-4.887314368783e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.603958289783e+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=279905436.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      161622 IEndB=      161622 NGot=  4160749568 MDV=  3885953181</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  3885953181 LenY=  3885906084</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=  23436 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="216">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216</array>
                     <array dataType="xsd:string" dictRef="x:label" size="216">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 O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V</array>
                     <array dataType="xsd:double" dictRef="g:orbitalener" size="216">-65.485848 -18.800476 -18.757432 -18.739500 -18.738785 -10.024532 -9.955013 -9.940314 -9.940164 -9.912401 -9.901213 -9.895810 -9.884702 -9.879387 -9.878174 -9.874094 -5.103056 -3.515585 -3.513722 -3.511447 -1.002012 -0.925127 -0.898996 -0.883759 -0.729535 -0.700587 -0.673179 -0.665533 -0.644985 -0.625041 -0.577947 -0.548659 -0.542404 -0.534490 -0.499320 -0.465498 -0.441220 -0.439847 -0.426463 -0.419899 -0.409912 -0.403939 -0.400320 -0.380644 -0.372219 -0.361632 -0.356712 -0.355284 -0.353115 -0.345594 -0.344715 -0.336601 -0.335124 -0.326606 -0.316793 -0.314749 -0.312965 -0.308777 -0.305759 -0.297018 -0.292405 -0.274929 -0.256282 -0.252784 -0.228273 -0.222914 -0.216962 -0.211772 -0.042053 0.037251 0.045403 0.056213 0.059767 0.074306 0.087341 0.089301 0.102523 0.102786 0.109176 0.114000 0.129538 0.133668 0.138365 0.140482 0.142018 0.146984 0.156282 0.157570 0.161904 0.166659 0.172307 0.172705 0.179827 0.180324 0.184641 0.185694 0.187812 0.189086 0.191161 0.198561 0.201041 0.204082 0.204969 0.210904 0.212571 0.227078 0.231662 0.252313 0.256411 0.265072 0.269649 0.270230 0.278391 0.279233 0.283121 0.287714 0.292431 0.294403 0.298116 0.305596 0.314082 0.317449 0.326874 0.329159 0.332355 0.363323 0.372408 0.384948 0.399759 0.404678 0.410576 0.431905 0.447563 0.448080 0.456570 0.462140 0.473813 0.494765 0.510574 0.514877 0.531274 0.543838 0.553467 0.583450 0.602103 0.676853 0.721913 0.744825 0.775701 0.805823 0.823493 0.830945 0.840790 0.842274 0.861712 0.863999 0.874745 0.897748 0.900020 0.913285 0.918443 0.938778 0.951281 0.957757 0.974781 0.985221 1.013938 1.026672 1.034495 1.041164 1.061519 1.062944 1.070609 1.080419 1.080826 1.084612 1.087595 1.090311 1.104533 1.115221 1.121783 1.125407 1.152973 1.170028 1.194963 1.209383 1.233904 1.257346 1.267178 1.283413 1.303595 1.457820 1.583229 1.648757 1.716828 1.735742 4.971821 5.004290 5.076804 5.605936 22.411464 22.489782 22.495716 22.508175 22.559575 22.604108 22.615650 22.630763 22.633961 22.643095 22.674655 41.504748 41.511890 41.541578 41.559464 142.955754</array>
                     <array dataType="xsd:double" dictRef="g:kineticener" size="216">92.156095 29.115770 29.117155 29.118863 29.118829 15.957209 15.959840 15.961295 15.961280 15.955720 15.958601 15.956614 15.956515 15.956754 15.956733 15.955151 13.062006 12.096318 12.098022 12.100212 2.486006 2.814006 2.528665 2.614642 1.431121 1.489835 1.510260 1.560393 1.487201 1.362938 1.555041 1.512877 1.505858 1.437273 1.678834 1.588154 1.156898 1.441042 1.470080 1.025780 1.022221 1.109216 1.938284 1.173195 1.234398 1.280584 1.252424 1.156979 1.237651 1.241875 1.377598 1.222858 1.262418 1.163999 1.263525 1.355718 1.308784 1.175085 1.476275 1.992112 1.179153 1.563459 1.961763 2.243138 2.149678 2.335639 2.097305 2.173746 2.251035 2.004874 1.711908 1.714210 1.641743 1.289345 1.188315 1.313738 1.181377 1.196733 1.189320 1.130736 1.173890 1.236350 1.345172 1.167034 1.248596 1.441221 1.450701 1.212978 1.142492 1.379671 1.300399 1.411494 1.222400 1.144566 1.187525 1.040896 0.990642 1.073104 1.135051 1.521764 1.318900 1.446566 1.198971 1.771974 1.449999 1.496784 1.609204 1.234828 1.219515 1.433006 1.382969 1.459687 1.460390 1.443378 1.403138 1.332833 1.311157 1.313310 1.438322 1.534411 1.373016 1.680759 1.591371 1.643736 2.082284 2.361070 1.500441 1.932420 2.239683 1.931102 2.336512 2.358764 2.158793 1.968890 1.989752 2.282360 2.406595 2.455000 2.985178 2.541646 2.113699 2.123960 2.051017 2.039385 2.010401 2.373814 2.683842 2.451025 2.475637 2.585421 2.654897 2.678604 2.741907 2.893398 2.953287 2.965083 2.835690 2.877711 2.984723 2.885519 2.980159 3.030935 3.031550 2.996937 3.053927 2.989394 2.647035 2.611597 2.782532 2.653938 2.616848 2.500532 2.586111 2.600314 2.568535 2.636134 2.594678 2.624647 2.675305 2.690114 2.739960 2.640718 2.852889 2.923004 2.806784 2.746530 2.886257 2.715296 2.695654 2.700562 2.799068 2.903830 4.937243 5.068101 5.180972 5.309352 9.673543 9.752271 9.710575 22.128190 57.405323 57.405001 57.403574 57.404336 57.411122 57.395840 57.382763 57.382857 57.381120 57.394847 57.374216 105.850202 105.849811 105.842174 105.845132 369.890239</array>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:totalkineticener">1.018249930340D+03</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT3148S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-06-13T17:55:31.000+02:00</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="40">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="40">Si O O O O C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="40">1.515126 -0.578417 -0.573631 -0.227666 -0.214539 -0.899255 -0.336137 -1.080244 -0.506488 -0.222594 -0.215396 0.216353 -0.678113 -0.678310 -0.234099 -0.682716 0.244497 0.239684 0.224890 0.230992 0.245200 0.258589 0.247240 0.239982 0.239518 0.207266 0.193603 0.196784 0.204113 0.228413 0.225036 0.200318 0.226053 0.224321 0.201063 0.223396 0.223146 0.228246 0.228510 0.215266</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="63">-10.02453 -9.95501 -9.94031 -9.94016 -9.91240 -9.90121 -9.89581 -9.88470 -9.87939 -9.87817 -9.87409 -5.10306 -3.51559 -3.51372 -3.51145 -1.00201 -0.92513 -0.89900 -0.88376 -0.72953 -0.70059 -0.67318 -0.66553 -0.64498 -0.62504 -0.57795 -0.54866 -0.54240 -0.53449 -0.49932 -0.46550 -0.44122 -0.43985 -0.42646 -0.41990 -0.40991 -0.40394 -0.40032 -0.38064 -0.37222 -0.36163 -0.35671 -0.35528 -0.35312 -0.34559 -0.34471 -0.33660 -0.33512 -0.32661 -0.31679 -0.31475 -0.31297 -0.30878 -0.30576 -0.29702 -0.29240 -0.27493 -0.25628 -0.25278 -0.22827 -0.22291 -0.21696 -0.21177</array>
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                     <module cmlx:templateRef="l601.orbital.closedshell">
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                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">9   C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">11  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">12  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">13  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">14  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">15  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">16  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">17  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">18  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">19  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">20  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">21  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">22  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">23  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">24  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">25  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">26  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">27  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">28  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">29  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">30  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">31  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">32  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">33  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">34  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">35  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">36  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">37  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">38  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">39  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">40  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        </list>
                     </module>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                     <module cmlx:templateRef="l601.grossorbpop">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="216">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="x:label"
                               size="216">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17  H  1S|2S|18  H  1S|2S|19  H  1S|2S|20  H  1S|2S|21  H  1S|2S|22  H  1S|2S|23  H  1S|2S|24  H  1S|2S|25  H  1S|2S|26  H  1S|2S|27  H  1S|2S|28  H  1S|2S|29  H  1S|2S|30  H  1S|2S|31  H  1S|2S|32  H  1S|2S|33  H  1S|2S|34  H  1S|2S|35  H  1S|2S|36  H  1S|2S|37  H  1S|2S|38  H  1S|2S|39  H  1S|2S|40  H  1S|2S</array>
                        <matrix cols="1"
                                dataType="xsd:double"
                                dictRef="g:totaloccup"
                                rows="216">0.74956 1.22054 0.89682 1.08391 0.83911 0.16317 1.97390 1.96999 1.97625 0.01082 0.01346 0.00966 0.42340 0.35859 0.45420 0.14308 0.11158 0.12347 1.13228 0.85964 0.91954 0.95476 1.27696 1.05573 1.10986 0.53344 0.34274 0.40663 1.13228 0.85964 0.91948 0.95462 0.97728 1.25205 1.21319 0.25648 0.52179 0.50560 1.13243 0.85925 0.95270 0.89889 0.97409 1.23627 1.19964 0.15187 0.45109 0.41008 1.13254 0.85916 0.97666 0.85694 1.31126 1.02222 1.04259 0.44702 0.33561 0.25719 1.17420 0.81432 0.69604 0.80889 0.89458 0.90514 0.90745 0.18657 0.26255 0.23182 1.17428 0.81428 0.72013 0.62263 0.83386 0.92414 0.89887 0.03490 0.17427 0.13148 1.17413 0.81444 0.70329 0.83306 0.91702 0.91646 0.93509 0.25302 0.23551 0.28593 1.17425 0.81414 0.72545 0.65029 0.85266 0.92254 0.90842 0.07563 0.20047 0.17173 1.17444 0.81430 0.74574 0.58896 0.95348 0.81563 0.79979 0.17386 0.03665 0.09946 1.17444 0.81431 0.74592 0.58930 0.69651 0.95043 0.92223 0.02541 0.15725 0.12423 1.17468 0.81392 0.80640 0.25803 0.85878 0.75105 0.81167 0.04433 0.15105 0.09418 1.17425 0.81434 0.72793 0.67398 0.92987 0.86734 0.91299 0.24132 0.12518 0.19660 1.17425 0.81434 0.72797 0.67305 0.90488 0.91638 0.88875 0.18225 0.21648 0.16448 1.17444 0.81423 0.75042 0.59891 0.70583 0.94743 0.92097 0.02641 0.16769 0.12002 1.17422 0.81436 0.72615 0.68173 0.89219 0.92566 0.90222 0.16305 0.21544 0.17759 0.50532 0.24919 0.50546 0.25081 0.51218 0.26688 0.51156 0.26003 0.50160 0.24244 0.50084 0.24009 0.50188 0.25989 0.50644 0.25164 0.50632 0.25183 0.51615 0.28150 0.51667 0.29512 0.51649 0.28985 0.51609 0.28381 0.50897 0.26387 0.50911 0.26629 0.50835 0.29514 0.50913 0.26577 0.50923 0.26688 0.50831 0.29428 0.51311 0.25953 0.51325 0.25984 0.50880 0.26167 0.50878 0.26172 0.50732 0.28158</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="40">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="40">Si O O O O C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="40">1.478475 -0.591577 -0.592390 -0.266308 -0.241202 -0.881563 -0.328855 -1.067944 -0.495592 -0.202303 -0.200022 0.235911 -0.663796 -0.662842 -0.226374 -0.672602 0.245487 0.243730 0.220938 0.228411 0.255961 0.259068 0.238229 0.241921 0.241847 0.202355 0.188214 0.193668 0.200100 0.227160 0.224595 0.196507 0.225103 0.223889 0.197405 0.227362 0.226904 0.229527 0.229501 0.211101</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">-2.64551408e-01 -2.87956303e-01 -5.70649974e-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">-0.6724 -0.7319 -1.4504</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">1.7583</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-87.0011 -104.9358 -110.5242</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">1.4559 4.4415 -7.5949</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">13.8192 -4.1154 -9.7038 1.4559 4.4415 -7.5949</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-141.6973 9.9070 -11.3160 -19.5153 -6.4936 -9.7064 -12.0100 0.8590 -6.1305 -3.4254</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7502.0769 -1369.3515 -715.3814 -60.6101 -45.4998 10.0730 -56.4479 -75.6698 -51.4165 -1696.9651 -1641.3493 -358.6183 -81.3503 -34.8451 3.5688</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">-1022.9312084</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">5.339E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">7.615E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">10.2742638,-3.059719,-7.2145448,1.0824616,3.302151,-5.6466325</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C11H24O4Si1)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.2645514 -0.2879563 -0.57065</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="2.16888822"
                        y3="-0.36420731"
                        z3="0.50757419">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">0.000003438 0.000004003 -0.000016539</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">0.000033269 -0.000013648 0.000009601</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">-0.000012185 0.000008635 0.000024049</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">-0.000017725 0.000001433 -0.000003327</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000001268 -0.000003111 -0.000005401</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">0.000014310 -0.000014559 -0.000024564</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">-0.000010818 0.000009473 -0.000000065</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">-0.000006615 0.000001736 -0.000002926</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">-0.000007645 0.000005668 0.000013290</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">-0.000020163 0.000005981 0.000001299</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000006089 0.000003142 -0.000010557</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">0.000017185 0.000000649 0.000006920</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">0.000000146 0.000000796 0.000007565</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">0.000001183 0.000004085 -0.000004291</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">0.000010953 -0.000003381 -0.000004733</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000000526 0.000003725 0.000001065</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">-0.000008369 0.000003979 0.000007009</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000002689 -0.000001438 0.000001388</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000001592 -0.000004197 -0.000002164</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">-0.000001046 -0.000001373 0.000002831</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">-0.000001309 -0.000008611 -0.000000621</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">-0.000002102 -0.000012123 -0.000001963</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">0.000001851 -0.000009653 -0.000005102</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">0.000003013 0.000004312 -0.000003266</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">-0.000000064 0.000001474 -0.000008904</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">0.000000077 0.000002282 0.000004998</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">0.000000563 0.000000787 0.000007716</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">-0.000002631 -0.000004601 -0.000005854</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">-0.000001864 -0.000001676 0.000001989</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">0.000000574 -0.000002674 0.000009157</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.30" size="3">0.000000422 -0.000002798 0.000009494</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.31" size="3">0.000001273 0.000001577 0.000011935</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.32" size="3">-0.000000825 0.000003088 -0.000006301</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.33" size="3">-0.000000284 0.000004675 -0.000002522</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.34" size="3">-0.000000704 0.000001195 -0.000004739</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.35" size="3">-0.000000522 -0.000001213 -0.000001290</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.36" size="3">-0.000001525 0.000001042 0.000002535</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.37" size="3">0.000000470 0.000005207 -0.000001073</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.38" size="3">-0.000000755 0.000003379 -0.000004510</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.39" size="3">-0.000000150 0.000002733 -0.000002129</array>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a2"
                        x3="2.41451931"
                        y3="1.35450893"
                        z3="0.62762694"/>
                  <atom elementType="O"
                        id="a3"
                        x3="3.39142346"
                        y3="-1.08850484"
                        z3="-0.49694351"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-4.3899406"
                        y3="-0.43546726"
                        z3="-0.60490487"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.34780808"
                        y3="0.55736996"
                        z3="1.22831674"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.55262445"
                        y3="-0.7790696"
                        z3="-0.40741386"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-0.72165464"
                        y3="-0.23046802"
                        z3="0.28021563"/>
                  <atom elementType="C"
                        id="a8"
                        x3="2.27193695"
                        y3="-0.93804463"
                        z3="2.30766284"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.99646768"
                        y3="-0.5847612"
                        z3="-0.51167446"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.37564578"
                        y3="2.29342056"
                        z3="-0.49908496"/>
                  <atom elementType="C"
                        id="a11"
                        x3="4.82838427"
                        y3="-1.09653952"
                        z3="-0.19418227"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-3.26871094"
                        y3="-0.08217534"
                        z3="0.15400483"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.57957353"
                        y3="3.70552157"
                        z3="0.05332984"/>
                  <atom elementType="C"
                        id="a14"
                        x3="5.55254171"
                        y3="-1.78556337"
                        z3="-1.35225815"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-5.71570843"
                        y3="-0.00495434"
                        z3="-0.06039388"/>
                  <atom elementType="C"
                        id="a16"
                        x3="-6.77620292"
                        y3="-0.51468594"
                        z3="-1.03083917"/>
                  <atom elementType="H"
                        id="a17"
                        x3="0.49565384"
                        y3="-1.88144936"
                        z3="-0.50895239"/>
                  <atom elementType="H"
                        id="a18"
                        x3="0.63476846"
                        y3="-0.38474041"
                        z3="-1.44076563"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-0.8142029"
                        y3="-0.63449273"
                        z3="1.30643968"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-0.65668611"
                        y3="0.86820755"
                        z3="0.39626327"/>
                  <atom elementType="H"
                        id="a21"
                        x3="3.23001212"
                        y3="-0.62770816"
                        z3="2.76077234"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.46147402"
                        y3="-0.48270785"
                        z3="2.90384805"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.18813753"
                        y3="-2.03658331"
                        z3="2.3852996"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-1.95417746"
                        y3="-0.16653745"
                        z3="-1.53651727"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.08657292"
                        y3="-1.68104512"
                        z3="-0.64258643"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.1716293"
                        y3="2.03873184"
                        z3="-1.22988672"/>
                  <atom elementType="H"
                        id="a27"
                        x3="1.39787536"
                        y3="2.21974222"
                        z3="-1.0234158"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.01029724"
                        y3="-1.64103826"
                        z3="0.75720075"/>
                  <atom elementType="H"
                        id="a29"
                        x3="5.19324384"
                        y3="-0.05577732"
                        z3="-0.06572822"/>
                  <atom elementType="H"
                        id="a30"
                        x3="1.78438453"
                        y3="3.95148956"
                        z3="0.77804854"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.55143571"
                        y3="3.7756662"
                        z3="0.571766"/>
                  <atom elementType="H"
                        id="a32"
                        x3="2.55897818"
                        y3="4.45134737"
                        z3="-0.76365157"/>
                  <atom elementType="H"
                        id="a33"
                        x3="5.18071954"
                        y3="-2.817476"
                        z3="-1.47521402"/>
                  <atom elementType="H"
                        id="a34"
                        x3="5.37247914"
                        y3="-1.24012093"
                        z3="-2.29477219"/>
                  <atom elementType="H"
                        id="a35"
                        x3="6.64248438"
                        y3="-1.82108465"
                        z3="-1.16560994"/>
                  <atom elementType="H"
                        id="a36"
                        x3="-5.82900821"
                        y3="-0.42828869"
                        z3="0.95417078"/>
                  <atom elementType="H"
                        id="a37"
                        x3="-5.71408874"
                        y3="1.09679376"
                        z3="0.0268873"/>
                  <atom elementType="H"
                        id="a38"
                        x3="-6.62635408"
                        y3="-0.08921005"
                        z3="-2.03784871"/>
                  <atom elementType="H"
                        id="a39"
                        x3="-6.74169905"
                        y3="-1.61475032"
                        z3="-1.10978633"/>
                  <atom elementType="H"
                        id="a40"
                        x3="-7.78122812"
                        y3="-0.22244754"
                        z3="-0.67539701"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a27" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a30" order="S"/>
                  <bond atomRefs2="a14 a35" order="S"/>
                  <bond atomRefs2="a14 a34" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/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-KIMIK2019</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000085265</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">14-Jun-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">114</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C11H24O4Si)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq=noraman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="2.16889"
                        y3="-0.36421"
                        z3="0.50757"/>
                  <atom elementType="O"
                        id="a2"
                        x3="2.41452"
                        y3="1.35451"
                        z3="0.62763"/>
                  <atom elementType="O"
                        id="a3"
                        x3="3.39142"
                        y3="-1.08851"
                        z3="-0.49694"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-4.38994"
                        y3="-0.43547"
                        z3="-0.60491"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.34781"
                        y3="0.55737"
                        z3="1.22832"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.55262"
                        y3="-0.77907"
                        z3="-0.40741"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-0.72166"
                        y3="-0.23047"
                        z3="0.28022"/>
                  <atom elementType="C"
                        id="a8"
                        x3="2.27194"
                        y3="-0.93805"
                        z3="2.30766"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.99647"
                        y3="-0.58476"
                        z3="-0.51167"/>
                  <atom elementType="C"
                        id="a10"
                        x3="2.37565"
                        y3="2.29342"
                        z3="-0.49909"/>
                  <atom elementType="C"
                        id="a11"
                        x3="4.82838"
                        y3="-1.09654"
                        z3="-0.19418"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-3.26871"
                        y3="-0.08218"
                        z3="0.15401"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.57957"
                        y3="3.70552"
                        z3="0.05333"/>
                  <atom elementType="C"
                        id="a14"
                        x3="5.55254"
                        y3="-1.78556"
                        z3="-1.35226"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-5.71571"
                        y3="-0.00495"
                        z3="-0.06039"/>
                  <atom elementType="C"
                        id="a16"
                        x3="-6.7762"
                        y3="-0.51469"
                        z3="-1.03084"/>
                  <atom elementType="H"
                        id="a17"
                        x3="0.49565"
                        y3="-1.88145"
                        z3="-0.50895"/>
                  <atom elementType="H"
                        id="a18"
                        x3="0.63477"
                        y3="-0.38474"
                        z3="-1.44077"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-0.8142"
                        y3="-0.63449"
                        z3="1.30644"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-0.65669"
                        y3="0.86821"
                        z3="0.39626"/>
                  <atom elementType="H"
                        id="a21"
                        x3="3.23001"
                        y3="-0.62771"
                        z3="2.76077"/>
                  <atom elementType="H"
                        id="a22"
                        x3="1.46147"
                        y3="-0.48271"
                        z3="2.90385"/>
                  <atom elementType="H"
                        id="a23"
                        x3="2.18814"
                        y3="-2.03658"
                        z3="2.3853"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-1.95418"
                        y3="-0.16654"
                        z3="-1.53652"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.08657"
                        y3="-1.68105"
                        z3="-0.64259"/>
                  <atom elementType="H"
                        id="a26"
                        x3="3.17163"
                        y3="2.03873"
                        z3="-1.22989"/>
                  <atom elementType="H"
                        id="a27"
                        x3="1.39788"
                        y3="2.21974"
                        z3="-1.02342"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.0103"
                        y3="-1.64104"
                        z3="0.7572"/>
                  <atom elementType="H"
                        id="a29"
                        x3="5.19324"
                        y3="-0.05578"
                        z3="-0.06573"/>
                  <atom elementType="H"
                        id="a30"
                        x3="1.78439"
                        y3="3.95149"
                        z3="0.77805"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.55144"
                        y3="3.77567"
                        z3="0.57177"/>
                  <atom elementType="H"
                        id="a32"
                        x3="2.55898"
                        y3="4.45135"
                        z3="-0.76365"/>
                  <atom elementType="H"
                        id="a33"
                        x3="5.18072"
                        y3="-2.81748"
                        z3="-1.47521"/>
                  <atom elementType="H"
                        id="a34"
                        x3="5.37248"
                        y3="-1.24012"
                        z3="-2.29477"/>
                  <atom elementType="H"
                        id="a35"
                        x3="6.64248"
                        y3="-1.82109"
                        z3="-1.16561"/>
                  <atom elementType="H"
                        id="a36"
                        x3="-5.82901"
                        y3="-0.42829"
                        z3="0.95417"/>
                  <atom elementType="H"
                        id="a37"
                        x3="-5.71409"
                        y3="1.09679"
                        z3="0.02689"/>
                  <atom elementType="H"
                        id="a38"
                        x3="-6.62635"
                        y3="-0.08921"
                        z3="-2.03785"/>
                  <atom elementType="H"
                        id="a39"
                        x3="-6.7417"
                        y3="-1.61475"
                        z3="-1.10979"/>
                  <atom elementType="H"
                        id="a40"
                        x3="-7.78123"
                        y3="-0.22245"
                        z3="-0.6754"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a27" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a13 a31" order="S"/>
                  <bond atomRefs2="a13 a30" order="S"/>
                  <bond atomRefs2="a14 a35" order="S"/>
                  <bond atomRefs2="a14 a34" order="S"/>
                  <bond atomRefs2="a14 a33" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
               </bondArray>
               <formula concise="C 11 H 24 O 4 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</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/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/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-16230.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=000085265-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=7GB</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">000085265</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="40">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="40">28 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="40">27.9769284 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="40">0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="40">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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">0.000440 0.000056 0.085106 0.027329</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">-2.333016e-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">1242.1749062268</scalar>
                     <module cmlx:templateRef="symaddnuc">
                        <scalar dataType="xsd:integer" dictRef="cc:basiscount">216</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:primbasis">492</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">216</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:alphae">68</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:betae">68</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">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.168888"
                                 y3="-0.364207"
                                 z3="0.507574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.414519"
                                 y3="1.354509"
                                 z3="0.627627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.391423"
                                 y3="-1.088505"
                                 z3="-0.496944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-4.389941"
                                 y3="-0.435467"
                                 z3="-0.604905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.347808"
                                 y3="0.55737"
                                 z3="1.228317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.552624"
                                 y3="-0.77907"
                                 z3="-0.407414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-0.721655"
                                 y3="-0.230468"
                                 z3="0.280216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="2.271937"
                                 y3="-0.938045"
                                 z3="2.307663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-1.996468"
                                 y3="-0.584761"
                                 z3="-0.511674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="2.375646"
                                 y3="2.293421"
                                 z3="-0.499085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="4.828384"
                                 y3="-1.09654"
                                 z3="-0.194182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-3.268711"
                                 y3="-0.082175"
                                 z3="0.154005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.579574"
                                 y3="3.705522"
                                 z3="0.05333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="5.552542"
                                 y3="-1.785563"
                                 z3="-1.352258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-5.715708"
                                 y3="-0.004954"
                                 z3="-0.060394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-6.776203"
                                 y3="-0.514686"
                                 z3="-1.030839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="0.495654"
                                 y3="-1.881449"
                                 z3="-0.508952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="0.634768"
                                 y3="-0.38474"
                                 z3="-1.440766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-0.814203"
                                 y3="-0.634493"
                                 z3="1.30644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-0.656686"
                                 y3="0.868208"
                                 z3="0.396263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="3.230012"
                                 y3="-0.627708"
                                 z3="2.760772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.461474"
                                 y3="-0.482708"
                                 z3="2.903848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.188138"
                                 y3="-2.036583"
                                 z3="2.3853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-1.954177"
                                 y3="-0.166537"
                                 z3="-1.536517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.086573"
                                 y3="-1.681045"
                                 z3="-0.642586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="3.171629"
                                 y3="2.038732"
                                 z3="-1.229887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="1.397875"
                                 y3="2.219742"
                                 z3="-1.023416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.010297"
                                 y3="-1.641038"
                                 z3="0.757201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="5.193244"
                                 y3="-0.055777"
                                 z3="-0.065728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="1.784385"
                                 y3="3.95149"
                                 z3="0.778049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.551436"
                                 y3="3.775666"
                                 z3="0.571766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="2.558978"
                                 y3="4.451347"
                                 z3="-0.763652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="5.18072"
                                 y3="-2.817476"
                                 z3="-1.475214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="5.372479"
                                 y3="-1.240121"
                                 z3="-2.294772">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="6.642484"
                                 y3="-1.821085"
                                 z3="-1.16561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-5.829008"
                                 y3="-0.428289"
                                 z3="0.954171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.714089"
                                 y3="1.096794"
                                 z3="0.026887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-6.626354"
                                 y3="-0.08921"
                                 z3="-2.037849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="-6.741699"
                                 y3="-1.61475"
                                 z3="-1.109786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="-7.781228"
                                 y3="-0.222448"
                                 z3="-0.675397">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a11" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a10 a13" order="S"/>
                           <bond atomRefs2="a10 a27" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a11 a14" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a31" order="S"/>
                           <bond atomRefs2="a13 a30" order="S"/>
                           <bond atomRefs2="a14 a35" order="S"/>
                           <bond atomRefs2="a14 a34" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a39" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 24 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="820">0.000000 1.740325 0.000000 1.740188 2.861349 0.000000 6.652888 7.143096 7.809465 0.000000 5.639389 5.848134 7.148613 2.330766 0.000000 1.903056 3.014983 2.857017 4.958429 4.435658 0.000000 2.902553 3.531067 4.272893 3.779125 2.901080 1.548414 0.000000 1.892149 2.845813 3.023526 7.288090 5.914625 3.217601 3.684128 0.000000 4.293914 4.951321 5.411409 2.399936 2.481562 2.558612 1.541999 5.127646 0.000000 2.849403 1.467156 3.531180 7.295971 6.225409 3.573795 4.070700 4.281467 5.234450 0.000000 2.846347 3.536913 1.468532 9.251120 8.462212 4.292829 5.637204 3.580471 6.851374 4.195322 0.000000 5.456376 5.881112 6.767113 1.399256 1.252765 3.924724 2.554489 6.005792 1.521290 6.158632 8.167810 0.000000 4.115543 2.425762 4.893321 8.133585 6.813612 4.942912 5.142140 5.171013 6.298088 1.529960 5.308315 6.968445 0.000000 4.114407 4.860780 2.426497 10.061524 9.558501 5.186997 6.666996 4.987552 7.689997 5.240103 1.529803 9.109603 6.400487 0.000000 7.913185 8.271765 9.181748 1.496493 2.753894 6.325477 5.010732 8.383366 3.791118 8.422885 10.601289 2.457585 9.088029 11.480982 0.000000 9.077666 9.524378 10.197790 2.425271 4.243463 7.360045 6.201387 9.653687 4.808358 9.587730 11.649248 3.727388 10.320666 12.398241 1.525202 0.000000 2.476905 3.930048 3.002396 5.095990 4.872180 1.108510 2.197809 3.460999 2.809284 4.578647 4.414489 4.224612 5.989418 5.127619 6.504111 7.417568 0.000000 2.479914 3.235854 2.997538 5.094010 4.885948 1.109081 2.196693 4.127613 2.797610 3.330160 4.432499 4.227527 4.769155 5.114161 6.509855 7.423437 1.768550 0.000000 3.100012 3.852475 4.598436 4.059403 2.801035 2.196910 1.106769 3.258658 2.169277 4.691241 5.856974 2.767268 5.650109 6.994932 5.127310 6.404894 2.562474 3.115932 0.000000 3.084656 3.118063 4.584074 4.079105 2.833915 2.195872 1.106696 3.936094 2.174968 3.468129 5.856181 2.790088 4.317561 6.975266 5.154091 6.434089 3.115753 2.571460 1.763900 0.000000 2.504460 3.023991 3.294101 8.332372 6.857153 4.150749 4.682588 1.104321 6.166591 4.459776 3.392101 7.023264 5.150747 4.863311 9.400676 10.701095 4.442935 4.944416 4.297767 4.789059 0.000000 2.501321 3.076499 3.956903 6.822949 5.197919 3.446490 3.422444 1.104363 4.861437 4.485817 4.616347 5.486047 5.188147 6.045553 7.779905 9.129190 3.812675 4.423654 2.784503 3.549586 1.780231 0.000000 2.514571 3.826247 3.264058 7.401082 6.222049 3.472103 4.019991 1.104462 5.292558 5.206128 3.808977 6.210925 6.209918 5.035034 8.519373 9.713166 3.356377 4.447508 3.484802 4.526268 1.792041 1.792055 0.000000 4.606197 5.107113 5.523240 2.621673 3.179710 2.816757 2.196296 5.764806 1.107702 5.086750 6.976382 2.143124 6.170523 7.681538 4.044028 4.860952 3.162038 2.599888 3.098536 2.547512 6.749458 5.611014 6.003040 0.000000 4.600639 5.575649 5.511874 2.618853 3.178285 2.798969 2.195162 5.315320 1.107743 5.977321 6.954088 2.142053 7.160470 7.672720 4.039660 4.848068 2.593437 3.118204 2.552038 3.102011 6.399878 5.157697 5.250491 1.763626 0.000000 3.130236 2.119371 3.219492 7.980577 7.123220 3.933911 4.752614 4.710086 5.840186 1.110192 3.694246 6.920360 2.185261 4.506546 9.193972 10.272241 4.800876 3.514733 5.428254 4.320936 4.799861 5.135178 5.535795 5.588481 6.467639 0.000000 3.100836 2.123237 3.898192 6.381544 5.509563 3.175969 3.492190 4.672439 4.432683 1.111930 4.842907 5.334995 2.182507 5.780300 7.515301 8.619321 4.230655 2.745877 4.297462 2.839604 5.077871 4.767671 5.510006 4.146547 5.244287 1.794881 0.000000 3.125095 3.965874 2.121067 9.574613 8.655222 4.687234 5.922204 3.224399 7.198647 4.898939 1.111171 8.446057 5.915197 2.182827 10.880828 11.974445 4.694991 5.055156 5.936295 6.208163 2.865406 4.306271 3.282033 7.479251 7.233711 4.568361 5.579051 0.000000 3.093628 3.192328 2.121092 9.605848 8.660258 4.709061 5.927582 3.865930 7.222925 3.693966 1.110320 8.464849 4.581792 2.185501 10.909072 12.017059 5.059336 4.772698 6.189279 5.940443 3.488623 4.788190 4.354514 7.298021 7.481310 3.135149 4.527690 1.795476 0.000000 4.341226 2.676566 5.441482 7.699367 6.169457 5.029986 4.900699 5.146356 6.044486 2.174823 5.974426 6.495665 1.103650 7.186862 8.521023 9.823567 6.110677 5.004763 5.297461 3.951103 5.195198 4.928022 6.213155 6.024301 6.980542 3.100790 2.528560 6.456261 5.328271 0.000000 4.365101 2.675388 4.982761 9.065521 7.641208 5.540513 5.864590 5.183582 7.139076 2.173995 5.094670 7.846774 1.103726 6.215590 10.028593 11.297592 6.519870 5.464999 6.248844 5.117852 4.927957 5.285858 6.239369 7.092080 7.939615 2.531234 3.098924 5.612784 4.216858 1.787718 0.000000 4.995773 3.398078 5.608392 8.496683 7.349906 5.613343 5.811334 6.209744 6.795437 2.181800 6.021092 7.440220 1.106408 6.943121 9.424628 10.577262 6.665319 5.248696 6.444331 4.952250 6.218412 6.244996 7.221264 6.503133 7.694286 2.532475 2.528972 6.740854 5.266937 1.796300 1.795789 0.000000 4.361320 5.429481 2.673563 9.900957 9.562137 5.168614 6.679235 5.128688 7.577958 5.911221 2.174122 9.029347 7.186926 1.103727 11.342140 12.184758 4.874387 5.156071 6.960037 7.152762 5.152079 6.201622 4.946606 7.611701 7.402587 5.261120 6.315663 2.529175 3.100611 7.901341 7.093251 7.759874 0.000000 4.345499 4.901229 2.679507 9.940219 9.575309 5.196700 6.692416 5.557609 7.609883 4.969046 2.174657 9.055800 6.145998 1.103749 11.378312 12.235778 5.232961 4.889469 7.184048 6.930913 5.524829 6.549449 5.716420 7.443616 7.652554 4.090061 5.420745 3.099427 2.530501 7.019222 6.057339 6.530921 1.787875 0.000000 4.993506 5.583528 3.398998 11.133226 10.544850 6.224713 7.671442 5.651997 8.751435 5.964840 2.181650 10.148743 6.966810 1.106378 12.539727 13.482804 6.182100 6.183159 7.944886 7.934080 5.337189 6.722693 5.700579 8.762287 8.745833 5.191257 6.622267 2.528567 2.535025 7.791120 6.625457 7.495332 1.795941 1.795951 0.000000 8.010611 8.440423 9.357241 2.121717 2.683847 6.534691 5.155425 8.229040 4.106282 8.765615 10.739892 2.704659 9.412978 11.691941 1.105166 2.201115 6.652349 6.893332 5.031390 5.361444 9.239557 7.546875 8.301167 4.613714 4.257329 9.584768 7.946745 10.908716 11.075604 8.785058 10.286506 9.854952 11.524940 11.691365 12.726801 0.000000 8.031619 8.154850 9.378714 2.121404 2.708080 6.555850 5.172059 8.550972 4.115626 8.194655 10.770484 2.717720 8.694309 11.710978 1.105201 2.200849 6.907819 6.682584 5.351962 5.076024 9.510256 7.890528 8.821868 4.263470 4.617733 9.023453 7.276275 11.092409 10.968451 8.058576 9.660393 8.962233 11.673675 11.565607 12.752292 1.788558 0.000000 9.160299 9.535537 10.184735 2.678575 4.672769 7.394048 6.344986 9.938993 4.900064 9.438259 11.645808 4.009743 10.174583 12.315566 2.178693 1.103428 7.501509 7.291621 6.727756 6.517552 10.975641 9.486210 10.052451 4.699633 5.009023 10.058897 8.411218 12.067813 11.983041 9.746644 11.195301 10.325239 12.131240 12.056641 13.409782 3.114951 2.549896 0.000000 9.142115 9.781177 10.165268 2.678876 4.658683 7.375557 6.331609 9.663463 4.892426 9.938447 11.617818 4.000950 10.795567 12.297818 2.178377 1.103433 7.267146 7.485635 6.475667 6.742451 10.741997 9.202327 9.598727 5.019939 4.678982 10.565814 8.997969 11.899401 12.081528 10.355726 11.740223 11.109452 11.988501 12.177760 13.385890 2.549630 3.114559 1.789379 0.000000 10.021194 10.398938 11.207588 3.398702 4.887480 8.356718 7.123962 10.510797 5.798407 10.465313 12.649028 4.590250 11.104333 13.442131 2.166081 1.105358 8.443149 8.452285 7.255129 7.286775 11.542049 9.914952 10.585235 5.890601 5.878578 11.197565 9.504806 12.949434 12.989858 10.537325 12.081788 11.347775 13.243337 13.292029 14.520310 2.551279 2.550817 1.791023 1.791039 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C11H24O4Si</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.010138"
                                 y3="-0.294963"
                                 z3="0.495391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="2.263563"
                                 y3="1.422699"
                                 z3="0.37646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.210684"
                                 y3="-1.155894"
                                 z3="-0.424251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-4.569175"
                                 y3="-0.478366"
                                 z3="-0.474109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-3.488599"
                                 y3="0.747864"
                                 z3="1.187572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.375156"
                                 y3="-0.820699"
                                 z3="-0.324401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-0.883818"
                                 y3="-0.176516"
                                 z3="0.306154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="2.146138"
                                 y3="-0.619946"
                                 z3="2.354455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.174839"
                                 y3="-0.627529"
                                 z3="-0.406315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="2.205922"
                                 y3="2.200333"
                                 z3="-0.866323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="4.653199"
                                 y3="-1.131134"
                                 z3="-0.150161">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-3.432349"
                                 y3="-0.031925"
                                 z3="0.208703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.425029"
                                 y3="3.6731"
                                 z3="-0.514577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="5.352607"
                                 y3="-1.97505"
                                 z3="-1.217369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-5.882774"
                                 y3="0.029709"
                                 z3="0.031667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-6.963471"
                                 y3="-0.600766"
                                 z3="-0.840592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="0.312693"
                                 y3="-1.926314"
                                 z3="-0.274308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="0.438565"
                                 y3="-0.570647"
                                 z3="-1.403064">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-0.957798"
                                 y3="-0.43708"
                                 z3="1.379267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-0.813088"
                                 y3="0.927352"
                                 z3="0.270785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="3.113789"
                                 y3="-0.256591"
                                 z3="2.743235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="1.348823"
                                 y3="-0.08326"
                                 z3="2.8984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="2.060329"
                                 y3="-1.697299"
                                 z3="2.582016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-2.151033"
                                 y3="-0.352419"
                                 z3="-1.479046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.270979"
                                 y3="-1.730897"
                                 z3="-0.385525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.9868"
                                 y3="1.844263"
                                 z3="-1.570575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="1.217961"
                                 y3="2.061899"
                                 z3="-1.357402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="4.851728"
                                 y3="-1.542615"
                                 z3="0.86274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="5.023815"
                                 y3="-0.084702"
                                 z3="-0.170996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="1.644799"
                                 y3="4.0197"
                                 z3="0.184819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.406956"
                                 y3="3.807266"
                                 z3="-0.028747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="2.391031"
                                 y3="4.301336"
                                 z3="-1.424688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="4.975165"
                                 y3="-3.011928"
                                 z3="-1.192159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="5.156102"
                                 y3="-1.561442"
                                 z3="-2.221648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="6.445835"
                                 y3="-1.991257"
                                 z3="-1.04807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-5.97779"
                                 y3="-0.251447"
                                 z3="1.09624">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-5.875929"
                                 y3="1.133087"
                                 z3="-0.031427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-6.83176"
                                 y3="-0.316676"
                                 z3="-1.898656">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="-6.934033"
                                 y3="-1.701554"
                                 z3="-0.770147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="-7.96049"
                                 y3="-0.25719"
                                 z3="-0.509342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a11" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a5 a12" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a18" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a19" order="S"/>
                           <bond atomRefs2="a7 a20" order="S"/>
                           <bond atomRefs2="a8 a23" order="S"/>
                           <bond atomRefs2="a8 a22" order="S"/>
                           <bond atomRefs2="a8 a21" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a10 a13" order="S"/>
                           <bond atomRefs2="a10 a27" order="S"/>
                           <bond atomRefs2="a10 a26" order="S"/>
                           <bond atomRefs2="a11 a14" order="S"/>
                           <bond atomRefs2="a11 a28" order="S"/>
                           <bond atomRefs2="a11 a29" order="S"/>
                           <bond atomRefs2="a13 a32" order="S"/>
                           <bond atomRefs2="a13 a31" order="S"/>
                           <bond atomRefs2="a13 a30" order="S"/>
                           <bond atomRefs2="a14 a35" order="S"/>
                           <bond atomRefs2="a14 a34" order="S"/>
                           <bond atomRefs2="a14 a33" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a15 a36" order="S"/>
                           <bond atomRefs2="a16 a40" order="S"/>
                           <bond atomRefs2="a16 a39" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 24 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.7635575 0.1439176 0.1337707</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= 11026 NPrTT= 53708 LenC2= 9227 LenP2D= 27913.</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= 216 RedAO= T EigKep= 3.32D-03 NBF= 216</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 216 1.00D-06 EigRej= -1.00D+00 NBFU= 216</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= 203 203 203 204 204 MxSgAt= 40 MxSgA2= 40.</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">-1022.40491780634</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.58818639816</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.183268591818</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.73856604347</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.150379645309</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.45987008728</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">1.278695956191</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.79307786202</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-1.333207774741</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.92469867195</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.131620809938</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93001075152</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.005312079562</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93100698210</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000996230578</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93113358587</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000126603773</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93116974123</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000036155364</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93116866316</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000001078071</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117023190</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001568744</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117028523</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000053325</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117033105</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000045821</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117033530</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000004253</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117033537</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000063</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117033540</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000032</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1022.93117033537</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">-1022.93117034</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">1.018250125535e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-4.887314630630e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.603958428533e+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=279905368.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      161554 IEndB=      161554 NGot=   939524096 MDV=   664727777</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   664727777 LenY=   664680680</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=  23436 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=    40.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     41 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=1111111111111111111111111111111111111111</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= 939523476 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=279755538.</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= 23436 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 123 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">120 vectors produced by pass 0 Test12= 1.01D-14 1.00D-09 XBig12= 1.45D+02 3.06D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 120 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">120 vectors produced by pass 1 Test12= 1.01D-14 1.00D-09 XBig12= 3.17D+01 1.34D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">120 vectors produced by pass 2 Test12= 1.01D-14 1.00D-09 XBig12= 8.55D-02 2.80D-02.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">120 vectors produced by pass 3 Test12= 1.01D-14 1.00D-09 XBig12= 3.24D-05 4.93D-04.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">51 vectors produced by pass 4 Test12= 1.01D-14 1.00D-09 XBig12= 1.62D-09 5.23D-06.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">4 vectors produced by pass 5 Test12= 1.01D-14 1.00D-09 XBig12= 1.53D-13 3.12D-08.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 1.24D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 535 with 123 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 157.87 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">192.916 -3.221 143.272 0.956 1.956 137.425</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">242.789 0.420 226.897 5.322 17.714 234.820</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">PT2260.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-06-14T10:13:55.000+02:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="68">-65.48584 -18.80048 -18.75743 -18.73952 -18.73877 -10.02453 -9.95501 -9.94032 -9.94015 -9.91240 -9.90121 -9.89581 -9.88469 -9.87939 -9.87817 -9.87408 -5.10305 -3.51558 -3.51371 -3.51144 -1.00201 -0.92513 -0.89900 -0.88376 -0.72954 -0.70059 -0.67318 -0.66553 -0.64498 -0.62503 -0.57795 -0.54866 -0.54240 -0.53449 -0.49932 -0.46550 -0.44122 -0.43985 -0.42646 -0.41990 -0.40991 -0.40394 -0.40032 -0.38064 -0.37222 -0.36163 -0.35671 -0.35528 -0.35311 -0.34559 -0.34471 -0.33660 -0.33512 -0.32660 -0.31679 -0.31475 -0.31297 -0.30878 -0.30576 -0.29702 -0.29241 -0.27493 -0.25629 -0.25278 -0.22827 -0.22291 -0.21697 -0.21177</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="148">-0.04206 0.03727 0.04541 0.05623 0.05978 0.07435 0.08734 0.08930 0.10253 0.10280 0.10918 0.11400 0.12955 0.13368 0.13838 0.14049 0.14204 0.14699 0.15628 0.15756 0.16190 0.16666 0.17232 0.17271 0.17983 0.18033 0.18465 0.18569 0.18782 0.18909 0.19117 0.19857 0.20104 0.20408 0.20497 0.21091 0.21257 0.22707 0.23167 0.25230 0.25641 0.26509 0.26966 0.27023 0.27840 0.27924 0.28312 0.28773 0.29245 0.29440 0.29813 0.30559 0.31407 0.31746 0.32689 0.32919 0.33236 0.36333 0.37243 0.38494 0.39975 0.40468 0.41059 0.43190 0.44757 0.44810 0.45658 0.46214 0.47380 0.49475 0.51058 0.51490 0.53137 0.54382 0.55344 0.58344 0.60212 0.67687 0.72191 0.74484 0.77570 0.80583 0.82344 0.83094 0.84080 0.84226 0.86172 0.86400 0.87475 0.89775 0.90002 0.91329 0.91844 0.93878 0.95128 0.95777 0.97477 0.98522 1.01394 1.02668 1.03450 1.04117 1.06152 1.06294 1.07061 1.08042 1.08083 1.08461 1.08760 1.09031 1.10455 1.11522 1.12178 1.12541 1.15298 1.17003 1.19496 1.20939 1.23391 1.25734 1.26718 1.28342 1.30360 1.45783 1.58324 1.64874 1.71686 1.73574 4.97181 5.00431 5.07682 5.60594 22.41146 22.48979 22.49572 22.50818 22.55958 22.60411 22.61565 22.63076 22.63396 22.64310 22.67465 41.50474 41.51189 41.54158 41.55946 142.95576</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="40">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="40">Si O O O O C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="40">1.478705 -0.591720 -0.592421 -0.266299 -0.241189 -0.881611 -0.328922 -1.067832 -0.495577 -0.202087 -0.199846 0.235858 -0.663831 -0.662842 -0.226366 -0.672600 0.245444 0.243687 0.220943 0.228392 0.255941 0.259029 0.238199 0.241917 0.241852 0.202290 0.188150 0.193643 0.200081 0.227157 0.224593 0.196498 0.225095 0.223873 0.197399 0.227358 0.226910 0.229530 0.229496 0.211104</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="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="16">Si O O O O C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="16">1.478705 -0.591720 -0.592421 -0.266299 -0.241189 -0.392480 0.120413 -0.314663 -0.011808 0.188354 0.193878 0.235858 -0.015583 -0.016475 0.227901 -0.002470</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">-2.76629239e-01 -3.61271085e-01 -5.21463267e-01</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
                            size="6">1.92916163e+02 -3.22118641e+00 1.43271904e+02 9.55668134e-01 1.95564294e+00 1.37425022e+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">-14.2123 -12.2663 -6.0120 -0.0011 0.0006 0.0012 5.7643 13.9068 17.5161</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations">
                        <array dataType="xsd:integer" dictRef="x:serial" size="114">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:irrep"
                               size="114">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
                        <array dataType="xsd:double" dictRef="cc:frequency" size="114">-13.1649 13.3508 16.7470 26.8442 37.5728 46.8110 53.3138 58.5895 77.7464 80.9168 88.4709 97.0139 113.1960 125.7378 151.5535 180.9110 196.0639 210.0039 214.5842 248.3808 249.5240 250.9993 279.6875 299.1521 338.3427 345.3072 383.6590 402.1343 462.2089 547.9413 592.9679 663.1719 670.3439 694.9863 720.7305 764.7262 796.9095 803.7211 804.2524 808.7615 816.6016 854.4053 871.0863 913.5466 931.2491 937.2417 992.4126 1015.7162 1029.3557 1057.7967 1067.6847 1071.1341 1101.9696 1103.2583 1112.0367 1121.1942 1127.1496 1135.7630 1135.9030 1136.0758 1209.3672 1242.5662 1247.9194 1260.3287 1262.7948 1296.7528 1298.3535 1310.2716 1350.6945 1361.4906 1363.0950 1364.6533 1388.2296 1389.2473 1400.1184 1432.9105 1437.8149 1442.0058 1451.2524 1456.5870 1457.2904 1463.3772 1474.2947 1475.4844 1477.6854 1478.9975 1487.0726 1489.9399 1492.9204 1639.7912 2934.7862 2940.1783 2978.7809 2987.6945 2987.9640 2988.3178 2989.3973 2992.9870 2995.0104 2995.3787 2999.3483 3008.4517 3024.1828 3036.7911 3063.2472 3066.3848 3085.5516 3085.8637 3092.0952 3099.1432 3100.0848 3100.6069 3100.8690 3106.7019</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="114">4.2305 3.2690 2.7568 2.2217 3.6120 3.5124 1.9740 2.1274 1.9229 3.1538 2.1068 2.0098 2.0459 3.0020 2.1160 4.6745 2.4293 2.5627 3.4938 1.5194 1.1958 1.2647 2.9158 3.9478 3.8415 4.1626 3.7673 4.1070 3.8250 2.6321 4.2904 4.7805 3.0901 2.0404 2.0909 2.0081 1.1035 1.1217 1.0898 2.4635 2.7675 1.4657 1.5732 5.1546 2.5635 2.7455 1.5153 2.9547 3.4799 4.5675 4.5909 2.5009 2.1254 2.1476 2.3265 1.2666 3.1523 1.4648 1.4686 1.4789 1.4131 1.2576 1.1357 1.1313 1.1272 1.1086 1.4520 1.2040 1.3900 1.2574 1.3746 1.4155 1.2575 1.2593 1.2678 1.0849 1.0630 1.0669 1.0497 1.0415 1.0417 1.0404 1.0590 1.0605 1.0526 1.0709 1.0702 1.0787 1.0823 9.7571 1.0571 1.0559 1.0592 1.0597 1.0397 1.0439 1.0937 1.0956 1.0446 1.0358 1.0596 1.0581 1.0983 1.0997 1.1025 1.1066 1.0985 1.0985 1.0986 1.0978 1.1010 1.0988 1.1012 1.1025</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="114">0.0004 0.0003 0.0005 0.0009 0.0030 0.0045 0.0033 0.0043 0.0068 0.0122 0.0097 0.0111 0.0154 0.0280 0.0286 0.0901 0.0550 0.0666 0.0948 0.0552 0.0439 0.0469 0.1344 0.2082 0.2591 0.2924 0.3267 0.3913 0.4815 0.4656 0.8888 1.2387 0.8181 0.5806 0.6399 0.6919 0.4129 0.4269 0.4153 0.9494 1.0873 0.6304 0.7033 2.5346 1.3098 1.4209 0.8793 1.7960 2.1724 3.0112 3.0834 1.6906 1.5207 1.5401 1.6951 0.9381 2.3596 1.1133 1.1165 1.1246 1.2177 1.1440 1.0421 1.0587 1.0590 1.0983 1.4421 1.2178 1.4941 1.3733 1.5048 1.5532 1.4279 1.4320 1.4643 1.3125 1.2948 1.3071 1.3026 1.3019 1.3034 1.3127 1.3561 1.3603 1.3542 1.3802 1.3943 1.4109 1.4213 15.4578 5.3642 5.3778 5.5374 5.5730 5.4690 5.4924 5.7584 5.7827 5.5209 5.4758 5.6164 5.6424 5.9180 5.9750 6.0955 6.1304 6.1622 6.1632 6.1884 6.2123 6.2344 6.2239 6.2387 6.2693</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="114">0.6356 0.1290 0.0156 0.0930 0.5143 0.2983 1.5609 0.4866 0.0900 1.5858 3.9123 5.0444 0.9249 1.7610 7.1054 3.8567 1.8812 6.1880 10.1616 0.1998 2.2924 1.7787 15.9079 2.6852 14.3398 16.4256 7.7524 26.1872 0.5456 1.6283 4.0461 11.0036 25.8390 23.8836 33.4999 21.8404 2.6288 5.2748 3.2206 14.3972 23.4017 58.2078 65.0049 35.4373 80.8338 155.9675 65.4528 14.4194 216.7574 228.6278 173.6808 35.2825 5.9829 8.5099 26.3667 1.6720 278.9123 4.5444 5.8981 3.0267 119.7331 2.6753 0.0351 1.0234 0.6257 7.3653 34.8607 52.8093 14.2897 10.2367 27.5992 2.2345 23.9861 33.7236 18.2891 5.1000 8.4372 24.7656 16.1252 10.0157 10.5377 11.9410 5.5848 3.6030 6.4709 11.6628 13.9094 7.0870 0.3787 161.6951 55.3202 61.0015 9.1716 14.2158 41.9167 16.1953 35.7645 36.7063 20.1663 22.0046 28.3305 21.4434 1.9601 0.7915 40.1616 13.2503 39.1619 39.1571 31.1209 12.4579 31.7085 18.9247 44.2235 45.9152</array>
                        <array dataType="xsd:integer" dictRef="cc:atomicNumber" size="40">14 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:double" dictRef="cc:displacement" size="13680">-0.01 -0.02 0.00 0.01 -0.02 0.04 -0.01 -0.01 -0.01 -0.01 -0.06 0.04 0.02 0.25 -0.21 0.00 0.02 -0.04 0.00 0.02 -0.03 -0.03 -0.06 -0.01 0.00 0.05 -0.05 0.03 0.02 0.06 -0.01 -0.03 0.00 0.00 0.09 -0.08 0.06 0.00 0.10 0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.03 -0.23 0.19 -0.01 0.02 -0.07 0.01 0.06 -0.03 -0.01 -0.01 -0.04 0.00 0.02 0.00 -0.02 -0.11 0.01 -0.02 -0.04 0.00 -0.08 -0.07 -0.04 0.03 0.06 -0.05 -0.03 0.05 -0.06 0.03 0.02 0.06 0.03 0.05 0.05 -0.02 -0.06 -0.01 0.00 -0.03 0.05 0.06 0.00 0.10 0.05 -0.02 0.11 0.07 0.03 0.12 -0.01 0.01 -0.06 0.01 0.04 0.00 -0.01 -0.01 -0.01 0.06 0.21 0.07 -0.05 -0.02 -0.23 -0.09 -0.45 0.12 0.02 -0.22 0.42 -0.02 -0.20 0.17 -0.03 0.04 -0.03 0.02 0.04 -0.01 -0.02 0.03 -0.01 -0.03 -0.02 0.00 -0.04 -0.11 0.07 -0.02 0.08 -0.07 -0.03 0.02 -0.03 -0.08 0.02 -0.03 -0.02 0.04 -0.05 0.08 0.04 -0.01 -0.03 0.00 0.02 -0.03 -0.03 0.01 0.33 0.01 -0.02 -0.02 -0.05 0.07 -0.03 -0.09 0.05 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               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H24O4Si/c1-5-13-11(12)9-8-10-16(4,14-6-2)15-7-3/h5-10H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:16,13,14,8,15,10,11,7,9,6,12,5,4,2,3,1/E:(2,3)(6,7)(14,15)/CRV:11.3,12.1/rA:40SiOOOO1CCCCCCC3CCCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;s1;s6;s1;s7;s2;s3;s4s5s9;s10;s11;s4;s15;s6;s6;s7;s7;s8;s8;s8;s9;s9;s10;s10;s11;s11;s13;s13;s13;s14;s14;s14;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
