<?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-KIMIK2029</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000280164</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">21-Mar-2018</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,noeigentest)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">pop=(full,</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">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="0.70175"
                        y3="-0.01281"
                        z3="-0.00163"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-1.15954"
                        y3="0.01692"
                        z3="0.16904"/>
                  <atom elementType="C"
                        id="a3"
                        x3="1.49006"
                        y3="-0.24271"
                        z3="1.68249"/>
                  <atom elementType="C"
                        id="a4"
                        x3="1.30201"
                        y3="1.60387"
                        z3="-0.73402"/>
                  <atom elementType="C"
                        id="a5"
                        x3="1.19096"
                        y3="-1.43082"
                        z3="-1.12434"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-1.78631"
                        y3="0.27334"
                        z3="1.39758"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.96448"
                        y3="-0.20427"
                        z3="-0.96304"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-3.97832"
                        y3="0.09416"
                        z3="0.3626"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-5.4904"
                        y3="0.14035"
                        z3="0.48488"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-3.18165"
                        y3="0.3123"
                        z3="1.49515"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-3.35727"
                        y3="-0.16557"
                        z3="-0.86906"/>
                  <atom elementType="C"
                        id="a12"
                        x3="1.59318"
                        y3="0.8566"
                        z3="2.55344"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.65438"
                        y3="1.96557"
                        z3="-0.60013"/>
                  <atom elementType="C"
                        id="a14"
                        x3="0.53318"
                        y3="-2.66762"
                        z3="-1.00032"/>
                  <atom elementType="C"
                        id="a15"
                        x3="1.96512"
                        y3="-1.4921"
                        z3="2.10985"/>
                  <atom elementType="C"
                        id="a16"
                        x3="0.43786"
                        y3="2.46083"
                        z3="-1.43274"/>
                  <atom elementType="C"
                        id="a17"
                        x3="2.21284"
                        y3="-1.30002"
                        z3="-2.0772"/>
                  <atom elementType="C"
                        id="a18"
                        x3="2.1559"
                        y3="0.70707"
                        z3="3.82495"/>
                  <atom elementType="C"
                        id="a19"
                        x3="3.13128"
                        y3="3.15641"
                        z3="-1.15707"/>
                  <atom elementType="C"
                        id="a20"
                        x3="0.89351"
                        y3="-3.74989"
                        z3="-1.80942"/>
                  <atom elementType="C"
                        id="a21"
                        x3="2.52904"
                        y3="-1.64225"
                        z3="3.38288"/>
                  <atom elementType="C"
                        id="a22"
                        x3="0.91489"
                        y3="3.65356"
                        z3="-1.99043"/>
                  <atom elementType="C"
                        id="a23"
                        x3="2.57377"
                        y3="-2.38334"
                        z3="-2.88792"/>
                  <atom elementType="C"
                        id="a24"
                        x3="-6.10021"
                        y3="-1.21922"
                        z3="0.12048"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-6.06555"
                        y3="1.26379"
                        z3="-0.38703"/>
                  <atom elementType="C"
                        id="a26"
                        x3="2.62398"
                        y3="-0.54373"
                        z3="4.24109"/>
                  <atom elementType="C"
                        id="a27"
                        x3="2.2612"
                        y3="4.00152"
                        z3="-1.8539"/>
                  <atom elementType="C"
                        id="a28"
                        x3="1.91546"
                        y3="-3.60851"
                        z3="-2.75407"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-1.19367"
                        y3="0.44359"
                        z3="2.30056"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.5088"
                        y3="-0.41535"
                        z3="-1.93492"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-5.76147"
                        y3="0.36191"
                        z3="1.55034"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-3.64546"
                        y3="0.51265"
                        z3="2.45857"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-3.96443"
                        y3="-0.3394"
                        z3="-1.75478"/>
                  <atom elementType="H"
                        id="a34"
                        x3="1.23929"
                        y3="1.84451"
                        z3="2.24559"/>
                  <atom elementType="H"
                        id="a35"
                        x3="3.35002"
                        y3="1.3226"
                        z3="-0.0537"/>
                  <atom elementType="H"
                        id="a36"
                        x3="-0.27292"
                        y3="-2.79762"
                        z3="-0.27272"/>
                  <atom elementType="H"
                        id="a37"
                        x3="1.90542"
                        y3="-2.36489"
                        z3="1.45454"/>
                  <atom elementType="H"
                        id="a38"
                        x3="-0.62023"
                        y3="2.21199"
                        z3="-1.54836"/>
                  <atom elementType="H"
                        id="a39"
                        x3="2.73911"
                        y3="-0.35036"
                        z3="-2.20325"/>
                  <atom elementType="H"
                        id="a40"
                        x3="2.23132"
                        y3="1.5642"
                        z3="4.4905"/>
                  <atom elementType="H"
                        id="a41"
                        x3="4.17917"
                        y3="3.42686"
                        z3="-1.0471"/>
                  <atom elementType="H"
                        id="a42"
                        x3="0.37784"
                        y3="-4.70201"
                        z3="-1.70547"/>
                  <atom elementType="H"
                        id="a43"
                        x3="2.89417"
                        y3="-2.61581"
                        z3="3.70271"/>
                  <atom elementType="H"
                        id="a44"
                        x3="0.23526"
                        y3="4.30979"
                        z3="-2.52972"/>
                  <atom elementType="H"
                        id="a45"
                        x3="3.36738"
                        y3="-2.2695"
                        z3="-3.62323"/>
                  <atom elementType="H"
                        id="a46"
                        x3="-5.92245"
                        y3="-1.47841"
                        z3="-0.92904"/>
                  <atom elementType="H"
                        id="a47"
                        x3="-7.18351"
                        y3="-1.22233"
                        z3="0.28005"/>
                  <atom elementType="H"
                        id="a48"
                        x3="-5.66984"
                        y3="-2.02145"
                        z3="0.73102"/>
                  <atom elementType="H"
                        id="a49"
                        x3="-5.8874"
                        y3="1.08516"
                        z3="-1.45312"/>
                  <atom elementType="H"
                        id="a50"
                        x3="-7.14742"
                        y3="1.35856"
                        z3="-0.24687"/>
                  <atom elementType="H"
                        id="a51"
                        x3="-5.61025"
                        y3="2.22932"
                        z3="-0.13815"/>
                  <atom elementType="H"
                        id="a52"
                        x3="3.06202"
                        y3="-0.66002"
                        z3="5.23043"/>
                  <atom elementType="H"
                        id="a53"
                        x3="2.63233"
                        y3="4.92818"
                        z3="-2.28723"/>
                  <atom elementType="H"
                        id="a54"
                        x3="2.19581"
                        y3="-4.45061"
                        z3="-3.38373"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a31" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a40" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a27" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a48" order="S"/>
                  <bond atomRefs2="a24 a46" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a50" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
               </bondArray>
               <formula concise="C27H26Si"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">352.37439999999975</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/C27H26Si/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-22H,1-2H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,25,26,27,28,18,21,19,22,20,23,12,15,13,16,14,17,10,11,6,7,9,8,3,4,5,2,1/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(18,19)(20,21)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,23.3,24.3,25.3,26.3,27.3/rA:54SiC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s2;;s8;s6s8;s7s8;s3;s4;s5;s3;s4;s5;s12;s13;s14;s15;s16;s17;s9;s9;s18s21;s19s22;s20s23;s6;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s27;s28;/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-1818.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=000280164.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=4</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=7GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,11=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=-1,11=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=-1,11=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">000280164</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">28 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="54">27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">0 0 0 0 0 0 0 0 0 0 0 0 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 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="54">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 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="57">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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="57">1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 24 25 25 25 26 27 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="57">2 3 4 5 6 7 12 15 13 16 14 17 10 29 11 30 9 10 11 24 25 31 32 33 18 34 19 35 20 36 21 37 22 38 23 39 26 40 27 41 28 42 26 43 27 44 28 45 46 47 48 49 50 51 52 53 54</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="57">1.8693 1.8736 1.8736 1.8737 1.4028 1.4066 1.4063 1.4033 1.4063 1.4033 1.4063 1.4033 1.3993 1.0934 1.3965 1.094 1.5177 1.4018 1.4036 1.534 1.534 1.1215 1.0879 1.0878 1.3985 1.0936 1.3985 1.0936 1.3985 1.0937 1.4004 1.093 1.4004 1.0931 1.4004 1.093 1.3988 1.0878 1.3989 1.0878 1.3988 1.0878 1.3972 1.0879 1.3972 1.0878 1.3973 1.0879 1.0956 1.095 1.0962 1.0955 1.095 1.0961 1.0882 1.0882 1.0882</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="57">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="96">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 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="96">2 2 2 3 3 4 1 1 6 1 1 12 1 1 13 1 1 14 2 2 10 2 2 11 9 9 10 8 8 8 24 24 25 6 6 8 7 7 8 3 3 18 4 4 19 5 5 20 3 3 21 4 4 22 5 5 23 12 12 26 13 13 27 14 14 28 15 15 26 16 16 27 17 17 28 9 9 9 46 46 47 9 9 9 49 49 50 18 18 21 19 19 22 20 20 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="96">1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="96">3 4 5 4 5 5 6 7 7 12 15 15 13 16 16 14 17 17 10 29 29 11 30 30 10 11 11 24 25 31 25 31 31 8 32 32 8 33 33 18 34 34 19 35 35 20 36 36 21 37 37 22 38 38 23 39 39 26 40 40 27 41 41 28 42 42 26 43 43 27 44 44 28 45 45 46 47 48 47 48 48 49 50 51 50 51 51 21 52 52 22 53 53 23 54 54</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="96">109.8048 109.936 109.0698 108.8105 109.6262 109.5818 121.8522 119.5922 118.5496 119.4465 121.6954 118.8511 119.5259 121.6189 118.8494 119.3816 121.7663 118.8457 120.7759 120.6324 118.5914 120.8121 120.4641 118.7231 119.762 121.1407 119.0973 110.484 110.4899 108.8656 111.409 107.74 107.7387 120.402 119.4739 120.1241 120.3627 119.8301 119.8071 120.5984 120.5364 118.8645 120.6 120.5353 118.8638 120.6016 120.5275 118.8701 120.5714 120.6534 118.7748 120.5718 120.645 118.7827 120.5747 120.6572 118.7677 120.0481 119.9954 119.9563 120.0478 119.9966 119.9556 120.0477 119.9959 119.9563 120.0934 119.8924 120.0141 120.0932 119.8937 120.0131 120.0939 119.8922 120.0139 111.8857 111.1735 111.1159 107.4249 107.2607 107.7683 111.8841 111.1657 111.1197 107.4172 107.279 107.7637 119.8373 120.0472 120.1155 119.8374 120.0455 120.1171 119.8361 120.0493 120.1146</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="96">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="144">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 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="144">3 3 4 4 5 5 2 2 4 4 5 5 2 2 3 3 5 5 2 2 3 3 4 4 1 1 7 7 1 1 6 6 1 1 15 15 1 1 12 12 1 1 16 16 1 1 13 13 1 1 17 17 1 1 14 14 2 2 29 29 2 2 30 30 10 10 10 11 11 11 9 9 11 11 9 9 10 10 8 8 8 25 25 25 31 31 31 8 8 8 24 24 24 31 31 31 3 3 34 34 4 4 35 35 5 5 36 36 3 3 37 37 4 4 38 38 5 5 39 39 12 12 40 40 13 13 41 41 14 14 42 42 15 15 43 43 16 16 44 44 17 17 45 45</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="144">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="144">2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 7 7 7 7 12 12 12 12 15 15 15 15 13 13 13 13 16 16 16 16 14 14 14 14 17 17 17 17 10 10 10 10 11 11 11 11 9 9 9 9 9 9 10 10 10 10 11 11 11 11 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 26 26 26 26 27 27 27 27 28 28 28 28 26 26 26 26 27 27 27 27 28 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="144">6 7 6 7 6 7 12 15 12 15 12 15 13 16 13 16 13 16 14 17 14 17 14 17 10 29 10 29 11 30 11 30 18 34 18 34 21 37 21 37 19 35 19 35 22 38 22 38 20 36 20 36 23 39 23 39 8 32 8 32 8 33 8 33 24 25 31 24 25 31 6 32 6 32 7 33 7 33 46 47 48 46 47 48 46 47 48 49 50 51 49 50 51 49 50 51 26 40 26 40 27 41 27 41 28 42 28 42 26 43 26 43 27 44 27 44 28 45 28 45 21 52 21 52 22 53 22 53 23 54 23 54 18 52 18 52 19 53 19 53 20 54 20 54</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="144">19.0132 -161.8896 -100.6679 78.4293 139.1599 -41.7429 -78.5585 100.4651 41.8075 -139.1689 161.6336 -19.3428 161.7176 -19.1673 41.4327 -139.4522 -78.421 100.6941 -41.1548 139.7803 79.1018 -99.9631 -161.545 19.3901 178.924 -1.2946 -0.1822 179.5991 -178.9209 1.3888 0.206 -179.4843 178.8742 -1.4513 -0.1773 179.4972 -178.8703 1.3582 0.1589 -179.6125 178.9387 -1.3978 -0.201 179.4625 -178.9322 1.3142 0.1888 -179.5649 -178.8994 1.4319 0.193 -179.4757 178.8964 -1.3417 -0.1733 179.5886 0.0353 179.9786 -179.7505 0.1928 -0.0828 -179.9725 179.6128 -0.2769 -118.0243 118.2254 0.0996 61.9098 -61.8406 -179.9663 -179.9735 0.0835 0.0911 -179.8519 179.9981 -0.1122 -0.0674 179.8223 -64.3357 175.5533 55.5265 58.8826 -61.2283 178.7449 176.8537 56.7427 -63.2841 64.3813 -175.5242 -55.5059 -58.8338 61.2608 -178.7209 -176.8056 -56.7111 63.3073 0.0667 179.9655 -179.6131 0.2856 0.0694 179.9663 -179.5997 0.2972 -0.0726 -179.9734 179.6016 -0.2992 -0.0302 -179.9768 179.7455 -0.2011 -0.0451 -179.9906 179.713 -0.2324 0.0334 179.9813 -179.733 0.2149 0.0648 179.9883 -179.834 0.0895 0.0774 179.9972 -179.8195 0.1003 -0.0704 -179.9942 179.8304 -0.0934 -0.0831 179.9935 179.8635 -0.06 -0.0896 179.9907 179.8558 -0.064 0.09 -179.9863 -179.8579 0.0659</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="144">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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">307</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">324</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">54</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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= 25200 NPrTT= 126918 LenC2= 21491 LenP2D= 64824.</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= 340 RedAO= T EigKep= 6.21D-04 NBF= 340</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 340 1.00D-06 EigRej= -1.00D+00 NBFU= 340</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 7 out of a maximum of 307</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="156">0.00231 0.00308 0.00328 0.00543 0.01116 0.01117 0.01165 0.01533 0.01631 0.01657 0.01658 0.01682 0.02006 0.02032 0.02033 0.02035 0.02053 0.02058 0.02058 0.02062 0.02065 0.02065 0.02069 0.02073 0.02082 0.02083 0.02086 0.02086 0.02090 0.02094 0.02099 0.02102 0.02102 0.02105 0.02106 0.02106 0.02110 0.02110 0.02111 0.02116 0.02116 0.02123 0.02181 0.04150 0.04941 0.05472 0.05482 0.05535 0.05574 0.05693 0.07039 0.07106 0.07134 0.13649 0.15983 0.15998 0.15998 0.15998 0.15998 0.15998 0.15998 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16060 0.16240 0.16329 0.16798 0.16876 0.17060 0.18227 0.21079 0.21081 0.21232 0.21327 0.21997 0.22000 0.22000 0.22000 0.22000 0.22011 0.22023 0.22697 0.23151 0.23465 0.23466 0.23518 0.24360 0.24953 0.24992 0.24994 0.25078 0.28774 0.29060 0.31401 0.32073 0.34112 0.34140 0.34182 0.34242 0.34323 0.34361 0.34393 0.34400 0.34405 0.34424 0.34443 0.34461 0.34465 0.34871 0.35020 0.35020 0.35052 0.35061 0.35063 0.35065 0.35068 0.35070 0.35079 0.35086 0.35875 0.41347 0.41381 0.41382 0.41386 0.41552 0.41552 0.41611 0.41865 0.44301 0.44921 0.44991 0.44994 0.45175 0.45461 0.45465 0.45466 0.45703 0.45703 0.45762 0.45887 0.45940 0.45942 0.46090 0.50792</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-4.13775898D-08.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
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                     </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">0.000037 0.000008 0.004335 0.000936</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">-7.214376e-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="57">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 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="57">1 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 8 9 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 24 25 25 25 26 27 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="57">2 3 4 5 6 7 12 15 13 16 14 17 10 29 11 30 9 10 11 24 25 31 32 33 18 34 19 35 20 36 21 37 22 38 23 39 26 40 27 41 28 42 26 43 27 44 28 45 46 47 48 49 50 51 52 53 54</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="57">1.9117 1.9151 1.9153 1.9155 1.42 1.424 1.4234 1.4216 1.4236 1.4216 1.4236 1.4216 1.4137 1.097 1.4108 1.0979 1.5311 1.4173 1.4202 1.5524 1.5524 1.1089 1.0977 1.0971 1.4136 1.0977 1.4135 1.0977 1.4135 1.0977 1.4142 1.0968 1.4141 1.0968 1.4141 1.0968 1.4144 1.0962 1.4144 1.0962 1.4144 1.0962 1.414 1.0962 1.4141 1.0962 1.4141 1.0962 1.1059 1.106 1.1048 1.1059 1.106 1.1048 1.0962 1.0962 1.0962</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="57">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="96">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 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="96">2 2 2 3 3 4 1 1 6 1 1 12 1 1 13 1 1 14 2 2 10 2 2 11 9 9 10 8 8 8 24 24 25 6 6 8 7 7 8 3 3 18 4 4 19 5 5 20 3 3 21 4 4 22 5 5 23 12 12 26 13 13 27 14 14 28 15 15 26 16 16 27 17 17 28 9 9 9 46 46 47 9 9 9 49 49 50 18 18 21 19 19 22 20 20 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="96">1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="96">3 4 5 4 5 5 6 7 7 12 15 15 13 16 16 14 17 17 10 29 29 11 30 30 10 11 11 24 25 31 25 31 31 8 32 32 8 33 33 18 34 34 19 35 35 20 36 36 21 37 37 22 38 38 23 39 39 26 40 40 27 41 41 28 42 42 26 43 43 27 44 44 28 45 45 46 47 48 47 48 48 49 50 51 50 51 51 21 52 52 22 53 53 23 54 54</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="96">109.8673 110.1649 108.5725 108.3777 109.9951 109.8588 121.7913 120.6854 117.5027 120.3361 121.5907 118.0487 120.3912 121.5417 118.0445 120.3304 121.6056 118.0465 121.092 119.7729 119.1295 121.3419 119.5982 119.0524 120.8183 121.3687 117.812 111.5903 111.623 107.4421 110.7982 107.5958 107.5631 121.2657 119.5212 119.2129 120.9847 119.1787 119.8362 121.1208 119.6921 119.1804 121.1313 119.7162 119.1457 121.1212 119.7018 119.1697 121.058 119.7186 119.2182 121.0497 119.6872 119.2575 121.0567 119.7228 119.2151 120.027 119.8741 120.0985 120.0199 119.8727 120.107 120.0308 119.8696 120.0992 120.1145 119.8321 120.0532 120.1266 119.8375 120.0356 120.1215 119.8277 120.0505 111.0362 110.5513 111.1931 107.8029 107.7767 108.3514 111.0662 110.5346 111.1916 107.7586 107.8111 108.3487 119.6302 120.1843 120.1847 119.6269 120.1865 120.1857 119.6224 120.1919 120.1848</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="96">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="143">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 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="143">3 3 4 4 5 5 2 2 4 4 5 5 2 2 3 3 5 5 2 2 3 3 4 4 1 1 7 7 1 1 6 6 1 1 15 15 1 1 12 12 1 1 16 16 1 1 13 13 1 1 17 17 1 1 14 14 2 2 29 29 2 2 30 30 10 10 10 11 11 11 9 9 11 11 9 9 10 10 8 8 8 25 25 25 31 31 31 8 8 8 24 24 24 31 31 31 3 3 34 34 4 4 35 35 5 5 36 36 3 3 37 37 4 4 38 38 5 5 39 39 12 12 40 40 13 13 41 41 14 14 42 42 15 15 43 43 16 16 44 44 17 17 45</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="143">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="143">2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 7 7 7 7 12 12 12 12 15 15 15 15 13 13 13 13 16 16 16 16 14 14 14 14 17 17 17 17 10 10 10 10 11 11 11 11 9 9 9 9 9 9 10 10 10 10 11 11 11 11 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 26 26 26 26 27 27 27 27 28 28 28 28 26 26 26 26 27 27 27 27 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="143">6 7 6 7 6 7 12 15 12 15 12 15 13 16 13 16 13 16 14 17 14 17 14 17 10 29 10 29 11 30 11 30 18 34 18 34 21 37 21 37 19 35 19 35 22 38 22 38 20 36 20 36 23 39 23 39 8 32 8 32 8 33 8 33 24 25 31 24 25 31 6 32 6 32 7 33 7 33 46 47 48 46 47 48 46 47 48 49 50 51 49 50 51 49 50 51 26 40 26 40 27 41 27 41 28 42 28 42 26 43 26 43 27 44 27 44 28 45 28 45 21 52 21 52 22 53 22 53 23 54 23 54 18 52 18 52 19 53 19 53 20 54 20</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="143">19.834 -161.8592 -99.4949 78.8119 140.1633 -41.5299 -79.4988 98.6664 40.9181 -140.9168 161.0378 -20.7971 161.3282 -20.4339 41.0968 -140.6653 -79.108 99.1299 -40.5572 140.9969 79.6927 -98.7531 -161.0888 20.4654 178.1811 -2.6835 -0.1772 178.9582 -178.0777 2.9221 0.2998 -178.7004 177.99 -2.9587 -0.2391 178.8122 -178.0466 2.7858 0.159 -179.0086 178.0014 -2.962 -0.2971 178.7395 -178.043 2.816 0.2349 -178.9062 -178.1912 2.7995 0.309 -178.7003 178.2492 -2.6064 -0.2309 178.9135 -0.1129 179.7073 -179.2537 0.5664 -0.1351 -179.9138 178.8705 -0.9082 -117.127 118.287 0.5906 62.5093 -62.0767 -179.7731 179.9283 0.1075 0.2793 -179.5414 -179.8037 -0.0264 -0.1568 179.6205 -62.7222 177.6725 57.2749 62.3242 -57.2812 -177.6788 179.6527 60.0474 -60.3502 63.0187 -177.423 -57.0409 -62.0092 57.5492 177.9312 -179.3578 -59.7994 60.5826 0.0624 179.8627 -178.9936 0.8067 0.0757 179.8492 -178.9663 0.8072 -0.1049 -179.8547 178.9096 -0.8402 0.0977 -179.7195 179.2694 -0.5478 0.0485 -179.7458 179.1932 -0.6011 -0.0512 179.7432 -179.1999 0.5946 0.1992 179.8788 -179.6006 0.079 0.2145 179.8616 -179.5585 0.0886 -0.1842 -179.8428 179.565 -0.0936 -0.2783 -179.9579 179.5384 -0.1412 -0.276 -179.9231 179.5179 -0.1292 0.2615 179.92 -179.5325</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="143">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="0.701746"
                                 y3="-0.012809"
                                 z3="-0.001627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-1.159544"
                                 y3="0.016917"
                                 z3="0.169039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
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                           </atom>
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                           </atom>
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                           <atom elementType="C"
                                 id="a24"
                                 x3="-6.100212"
                                 y3="-1.219215"
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                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-6.065553"
                                 y3="1.263786"
                                 z3="-0.387027">
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                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="2.62398"
                                 y3="-0.543726"
                                 z3="4.241088">
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                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a27"
                                 x3="2.261205"
                                 y3="4.001523"
                                 z3="-1.853901">
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                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.915463"
                                 y3="-3.608507"
                                 z3="-2.754071">
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                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-1.193672"
                                 y3="0.443587"
                                 z3="2.300555">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.508804"
                                 y3="-0.415345"
                                 z3="-1.934916">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-5.761471"
                                 y3="0.361913"
                                 z3="1.550335">
                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="-3.645463"
                                 y3="0.512645"
                                 z3="2.458569">
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                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-3.964426"
                                 y3="-0.339397"
                                 z3="-1.75478">
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                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="1.23929"
                                 y3="1.844507"
                                 z3="2.245587">
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                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="3.350021"
                                 y3="1.322601"
                                 z3="-0.053697">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-0.272917"
                                 y3="-2.797621"
                                 z3="-0.272715">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="1.905415"
                                 y3="-2.364888"
                                 z3="1.454544">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-0.620229"
                                 y3="2.21199"
                                 z3="-1.548359">
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                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="2.739106"
                                 y3="-0.350361"
                                 z3="-2.203252">
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                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="2.231322"
                                 y3="1.564201"
                                 z3="4.490496">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="4.179169"
                                 y3="3.426863"
                                 z3="-1.047097">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="0.377837"
                                 y3="-4.702011"
                                 z3="-1.705466">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a43"
                                 x3="2.894169"
                                 y3="-2.615814"
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                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.235261"
                                 y3="4.309793"
                                 z3="-2.529724">
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                           </atom>
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                                 id="a45"
                                 x3="3.367375"
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                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-5.922452"
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                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="-7.183507"
                                 y3="-1.222333"
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                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="-5.669842"
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                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="-5.887404"
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                           </atom>
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                                 id="a50"
                                 x3="-7.147418"
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                              </property>
                           </atom>
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                                 id="a51"
                                 x3="-5.610247"
                                 y3="2.22932"
                                 z3="-0.138153">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="3.062023"
                                 y3="-0.660021"
                                 z3="5.230434">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a53"
                                 x3="2.632332"
                                 y3="4.928182"
                                 z3="-2.287229">
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                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a54"
                                 x3="2.195807"
                                 y3="-4.450612"
                                 z3="-3.383731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a12" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a10" order="S"/>
                           <bond atomRefs2="a6 a29" order="S"/>
                           <bond atomRefs2="a7 a11" order="S"/>
                           <bond atomRefs2="a7 a30" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a9 a31" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a13 a19" order="S"/>
                           <bond atomRefs2="a13 a35" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a22" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                           <bond atomRefs2="a17 a23" order="S"/>
                           <bond atomRefs2="a17 a39" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a40" order="S"/>
                           <bond atomRefs2="a19 a27" order="S"/>
                           <bond atomRefs2="a19 a41" order="S"/>
                           <bond atomRefs2="a20 a28" order="S"/>
                           <bond atomRefs2="a20 a42" order="S"/>
                           <bond atomRefs2="a21 a26" order="S"/>
                           <bond atomRefs2="a21 a43" order="S"/>
                           <bond atomRefs2="a22 a27" order="S"/>
                           <bond atomRefs2="a22 a44" order="S"/>
                           <bond atomRefs2="a23 a28" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a24 a48" order="S"/>
                           <bond atomRefs2="a24 a46" order="S"/>
                           <bond atomRefs2="a24 a47" order="S"/>
                           <bond atomRefs2="a25 a51" order="S"/>
                           <bond atomRefs2="a25 a49" order="S"/>
                           <bond atomRefs2="a25 a50" order="S"/>
                           <bond atomRefs2="a26 a52" order="S"/>
                           <bond atomRefs2="a27 a53" order="S"/>
                           <bond atomRefs2="a28 a54" order="S"/>
                        </bondArray>
                        <formula concise="C27H26Si"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">352.37439999999975</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C27H26Si/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-22H,1-2H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,25,26,27,28,18,21,19,22,20,23,12,15,13,16,14,17,10,11,6,7,9,8,3,4,5,2,1/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(18,19)(20,21)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,23.3,24.3,25.3,26.3,27.3/rA:54SiC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s2;;s8;s6s8;s7s8;s3;s4;s5;s3;s4;s5;s12;s13;s14;s15;s16;s17;s9;s9;s18s21;s19s22;s20s23;s6;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.1818737 0.1150601 0.1136339</array>
                  </module>
               </module>
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                        <scalar dataType="xsd:string" dictRef="x:label">6PX</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">6PZ</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">23  C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">24  C  1S</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">25  C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">26  C  1S</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">27  C  1S</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                        <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">28  C  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">6PY</scalar>
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                        <scalar dataType="xsd:string" dictRef="x:label">29  H  1S</scalar>
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                        <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>
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                        <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>
                        <scalar dataType="xsd:string" dictRef="x:label">41  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">42  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">43  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">44  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">45  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">46  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">47  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">48  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">49  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">50  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">51  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">52  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">53  H  1S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                        <scalar dataType="xsd:string" dictRef="x:label">54  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>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-0.6074 0.0098 0.0475</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.6093</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-158.8150 -161.9297 -162.7653</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.5803 -0.0256 0.3987</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">2.3550 -0.7597 -1.5953 0.5803 -0.0256 0.3987</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-9.2941 -9.2948 34.9195 37.4389 15.0152 -3.4384 34.6231 0.6327 -27.6490 -2.5658</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-8254.6071 -3770.9672 -3733.5083 48.5619 -120.2402 29.1028 -51.6786 95.9507 46.0185 -2082.2350 -1944.0279 -1198.4403 -3.5388 -47.3017 -76.9290</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="0.729236"
                                 y3="-0.015451"
                                 z3="-0.005961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-1.174793"
                                 y3="0.002647"
                                 z3="0.164153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="1.53442"
                                 y3="-0.243933"
                                 z3="1.71657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="1.341979"
                                 y3="1.642398"
                                 z3="-0.74385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="1.225106"
                                 y3="-1.463256"
                                 z3="-1.158019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.812618"
                                 y3="0.275956"
                                 z3="1.403068">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-2.007728"
                                 y3="-0.225176"
                                 z3="-0.968095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-4.048051"
                                 y3="0.101988"
                                 z3="0.373667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-5.573441"
                                 y3="0.15383"
                                 z3="0.494864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-3.221914"
                                 y3="0.323075"
                                 z3="1.503891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-3.413981"
                                 y3="-0.175323"
                                 z3="-0.866502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="1.658155"
                                 y3="0.861569"
                                 z3="2.604688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.703836"
                                 y3="2.033038"
                                 z3="-0.60468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="0.563425"
                                 y3="-2.719796"
                                 z3="-1.05899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="1.98869"
                                 y3="-1.514676"
                                 z3="2.163644">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="0.472292"
                                 y3="2.498377"
                                 z3="-1.473208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="2.275231"
                                 y3="-1.333802"
                                 z3="-2.10745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a18"
                                 x3="2.211264"
                                 y3="0.703097"
                                 z3="3.895857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="3.182281"
                                 y3="3.232801"
                                 z3="-1.178849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a20"
                                 x3="0.941312"
                                 y3="-3.81073"
                                 z3="-1.874489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="2.544339"
                                 y3="-1.678366"
                                 z3="3.453742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a22"
                                 x3="0.945555"
                                 y3="3.700395"
                                 z3="-2.048522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a23"
                                 x3="2.656094"
                                 y3="-2.421589"
                                 z3="-2.926841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a24"
                                 x3="-6.220019"
                                 y3="-1.217187"
                                 z3="0.159853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-6.179403"
                                 y3="1.279088"
                                 z3="-0.386358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="2.654375"
                                 y3="-0.569846"
                                 z3="4.324694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a27"
                                 x3="2.303118"
                                 y3="4.069472"
                                 z3="-1.905267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="1.991616"
                                 y3="-3.664412"
                                 z3="-2.8105">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-1.207079"
                                 y3="0.440196"
                                 z3="2.302942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.551326"
                                 y3="-0.460698"
                                 z3="-1.938406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-5.815145"
                                 y3="0.389283"
                                 z3="1.551229">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="-3.687972"
                                 y3="0.531806"
                                 z3="2.475522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-4.021728"
                                 y3="-0.357887"
                                 z3="-1.761488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="1.334053"
                                 y3="1.858774"
                                 z3="2.280005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="3.394581"
                                 y3="1.403021"
                                 z3="-0.029384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-0.265461"
                                 y3="-2.843629"
                                 z3="-0.350088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="1.921454"
                                 y3="-2.382021"
                                 z3="1.49566">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-0.586292"
                                 y3="2.232566"
                                 z3="-1.581726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="2.791763"
                                 y3="-0.372743"
                                 z3="-2.21933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="2.298954"
                                 y3="1.568966"
                                 z3="4.562322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="4.234481"
                                 y3="3.514871"
                                 z3="-1.056766">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="0.41614"
                                 y3="-4.768542"
                                 z3="-1.782785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a43"
                                 x3="2.892533"
                                 y3="-2.666536"
                                 z3="3.77616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.256556"
                                 y3="4.34776"
                                 z3="-2.6034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="3.465918"
                                 y3="-2.298159"
                                 z3="-3.655292">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-6.018222"
                                 y3="-1.505682"
                                 z3="-0.888532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="-7.317009"
                                 y3="-1.171974"
                                 z3="0.292956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="-5.823137"
                                 y3="-2.015928"
                                 z3="0.811866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="-5.981004"
                                 y3="1.094655"
                                 z3="-1.458563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="-7.275765"
                                 y3="1.330571"
                                 z3="-0.250149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-5.750187"
                                 y3="2.263731"
                                 z3="-0.127749">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="3.085547"
                                 y3="-0.695289"
                                 z3="5.324734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a53"
                                 x3="2.670737"
                                 y3="5.001662"
                                 z3="-2.34977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a54"
                                 x3="2.285135"
                                 y3="-4.507964"
                                 z3="-3.446077">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a12" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a10" order="S"/>
                           <bond atomRefs2="a6 a29" order="S"/>
                           <bond atomRefs2="a7 a11" order="S"/>
                           <bond atomRefs2="a7 a30" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a9 a31" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a13 a19" order="S"/>
                           <bond atomRefs2="a13 a35" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a22" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                           <bond atomRefs2="a17 a23" order="S"/>
                           <bond atomRefs2="a17 a39" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a40" order="S"/>
                           <bond atomRefs2="a19 a27" order="S"/>
                           <bond atomRefs2="a19 a41" order="S"/>
                           <bond atomRefs2="a20 a28" order="S"/>
                           <bond atomRefs2="a20 a42" order="S"/>
                           <bond atomRefs2="a21 a26" order="S"/>
                           <bond atomRefs2="a21 a43" order="S"/>
                           <bond atomRefs2="a22 a27" order="S"/>
                           <bond atomRefs2="a22 a44" order="S"/>
                           <bond atomRefs2="a23 a28" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a24 a47" order="S"/>
                           <bond atomRefs2="a24 a46" order="S"/>
                           <bond atomRefs2="a24 a48" order="S"/>
                           <bond atomRefs2="a25 a50" order="S"/>
                           <bond atomRefs2="a25 a49" order="S"/>
                           <bond atomRefs2="a25 a51" order="S"/>
                           <bond atomRefs2="a26 a52" order="S"/>
                           <bond atomRefs2="a27 a53" order="S"/>
                           <bond atomRefs2="a28 a54" order="S"/>
                        </bondArray>
                        <formula concise="C27H26Si"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">352.37439999999975</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C27H26Si/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-22H,1-2H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,25,26,27,28,18,21,19,22,20,23,12,15,13,16,14,17,10,11,6,7,9,8,3,4,5,2,1/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(18,19)(20,21)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,23.3,24.3,25.3,26.3,27.3/rA:54SiC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s2;;s8;s6s8;s7s8;s3;s4;s5;s3;s4;s5;s12;s13;s14;s15;s16;s17;s9;s9;s18s21;s19s22;s20s23;s6;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.1753344 0.1107517 0.1095668</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= 321 322 322 322 322 MxSgAt= 54 MxSgA2= 54.</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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= 25200 NPrTT= 126918 LenC2= 21315 LenP2D= 63981.</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= 340 RedAO= T EigKep= 7.00D-04 NBF= 340</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 340 1.00D-06 EigRej= -1.00D+00 NBFU= 340</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= 316 320 321 322 322 MxSgAt= 54 MxSgA2= 54.</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">-1331.85469060510</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.04365819758</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.188967592483</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.34232049380</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.298662296225</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.32928034778</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.013040146026</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36161706841</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.032336720631</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36269204540</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001074976987</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36273630162</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000044256227</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36274988088</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000013579252</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36290091296</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000151032086</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291872582</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000017812863</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291730317</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000001422653</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291903937</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001736201</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291906671</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000027339</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291906786</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001150</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291906813</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000270</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.36291906822</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000094</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">-1332.36291907</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">16</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.327063084547e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-8.252271557515e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">3.021848514782e+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">IVT=      369538 IEndB=      369538 NGot=   939524096 MDV=   939287139</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   939287139 LenY=   939171098</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">Fock matrices will be formed incrementally for  20 cycles.</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">-2.38954595e-01 3.87154538e-03 1.86764891e-02</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="54">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="54">14 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000629314 0.000033864 -0.000025264</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006061148 -0.001751008 -0.000556506</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001469205 0.001929007 -0.006232451</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001851497 -0.004825250 0.004158888</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003188687 0.004701132 0.003000314</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002430942 0.002648599 0.009592143</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000944723 -0.001031094 -0.009186661</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.011532044 0.001608212 0.006925863</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002071151 0.001304893 0.007090707</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001533933 0.000801390 0.003332119</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002378061 -0.000780508 -0.004633799</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002146727 0.008239826 0.001578942</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007951184 -0.002344278 0.002414681</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005569942 -0.004978610 0.004484123</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000716096 -0.009448271 -0.001797000</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008794245 0.001437300 -0.003797707</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006990760 0.005550756 -0.003625495</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000302608 0.007862160 0.005475992</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009369109 0.001769869 0.001153598</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004773683 -0.008144933 0.001503318</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002521799 -0.008893515 0.001344873</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006976759 0.004318399 -0.004415333</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007025586 0.002539321 -0.005586792</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002999634 -0.004190461 0.001678391</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002808630 0.004603797 -0.000116670</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004000918 -0.000619540 0.009504175</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004085143 0.008682726 -0.004004961</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002327772 -0.008360882 -0.005741361</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002639398 -0.000442294 0.001093057</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002239033 -0.001080706 -0.001541044</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003580200 -0.001430806 -0.006828372</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003797684 0.000974785 0.004877957</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002916738 -0.000961364 -0.005117602</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000546695 0.002057407 -0.001972165</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000704218 -0.001912119 0.002098763</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002228968 0.000956141 0.001573300</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000210150 -0.000894912 -0.002517123</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002084408 -0.001404714 0.000997415</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000102945 0.002668156 0.000344097</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000368168 0.004598068 0.003468697</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005569267 0.001360913 0.000628476</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002798215 -0.005034972 0.000615158</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001989978 -0.005107200 0.001652633</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003598098 0.003507300 -0.002796778</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004135929 0.000620512 -0.003914345</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001614539 -0.000497056 -0.006536550</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007405781 0.000562661 0.000828601</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002263777 -0.004202903 0.003571952</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001576772 -0.002187822 -0.006238876</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007397585 0.000005830 0.000956226</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002436692 0.005220301 0.001653828</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002330351 -0.000587301 0.004989421</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001837966 0.004779484 -0.002105326</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001359654 -0.004230293 -0.003299523</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.011532044</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.004181486</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">-1332.37360675781</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365715483</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000050397023</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365718912</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000034288</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365730032</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000111198</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365738186</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000081540</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365738443</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002574</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365738467</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000235</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37365738476</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000098</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">-1332.37365738</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">1.325654355997e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-8.168089849527e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">2.980517585811e+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">IVT=      369538 IEndB=      369538 NGot=   939524096 MDV=   939287139</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   939287139 LenY=   939171098</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">Fock matrices will be formed incrementally for  20 cycles.</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="340">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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340</array>
                     <array dataType="xsd:string" dictRef="x:label" size="340">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 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 V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V</array>
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                     <array dataType="xsd:double" dictRef="g:kineticener" size="340">92.154940 15.955407 15.958781 15.956027 15.956028 15.956024 15.955577 15.955592 15.955600 15.955764 15.955756 15.955765 15.954905 15.954893 15.954944 15.954885 15.955032 15.954949 15.954326 15.954637 15.954045 15.954488 15.954961 15.955008 15.955033 15.954849 15.957120 15.957248 13.055530 12.090216 12.090172 12.089402 1.457668 1.474396 1.486858 1.487127 1.404069 1.555530 1.589778 1.604282 1.607016 1.599157 1.634803 1.636250 1.600415 1.348956 1.463387 1.427356 1.448158 1.451310 1.461855 1.484023 1.496299 1.499248 1.348388 1.124324 0.972682 0.977990 1.075213 1.293368 1.252370 1.338920 1.331321 1.302583 1.354357 1.335528 1.368458 1.260756 1.147803 1.190813 1.187432 1.179943 1.187682 1.146817 1.070341 1.259254 1.284857 0.990858 1.112963 0.987263 0.992882 1.223856 1.022421 1.259635 1.351121 1.340422 1.306075 1.256259 1.372419 1.263453 1.490797 1.501294 1.535833 1.149716 1.116122 1.135036 1.148413 1.151409 1.165491 1.215659 1.250736 1.294073 1.387193 1.400495 1.356868 1.387437 1.403289 1.398121 1.403526 1.217003 1.492837 1.499980 1.484508 1.283002 1.420820 1.420884 1.268348 1.326520 1.144003 0.970188 1.296364 1.289054 1.371395 1.278538 1.190392 1.149676 1.195439 1.118611 1.200089 1.195872 1.194053 2.112121 0.925787 1.265464 1.271701 1.298018 1.400857 1.351160 1.362513 1.258100 1.396877 1.206872 1.015816 1.114049 0.972307 1.114492 1.177071 1.113179 0.990424 0.955783 1.174142 1.165069 1.027554 1.087833 1.187331 1.249321 1.335711 1.197170 1.341490 1.347055 1.330865 1.295429 1.284298 1.425680 1.245544 1.360366 1.331602 1.379270 1.431478 1.389114 1.462847 1.540975 1.401985 1.674945 1.266153 1.358880 1.940392 1.516754 1.461944 1.676365 1.644853 1.703017 1.706691 1.748860 1.531389 1.616706 1.682241 1.678855 1.617426 1.697082 2.159909 1.716959 1.580963 1.648069 1.651416 1.691186 1.960371 1.956525 1.979077 1.914570 2.272953 2.097029 1.714147 2.292427 2.190744 2.236956 2.220172 2.313275 2.193240 1.906301 2.197837 2.056186 2.033974 2.166797 1.982140 1.977706 1.908620 1.985680 1.901237 2.064942 1.823414 2.015366 1.898433 1.814244 2.145896 1.926295 2.071097 2.189679 2.171469 1.928475 2.303062 2.106644 2.994448 2.803521 2.395620 2.651811 2.144760 3.057406 2.230865 1.934890 2.009822 2.094953 2.082739 2.093596 2.173646 2.314561 2.667533 2.524423 2.724035 2.399165 2.415278 2.491543 2.568923 2.432366 2.482232 2.655142 2.697430 2.677585 2.914130 2.833070 2.805319 2.722347 2.863273 2.942323 2.908805 3.008873 3.131288 2.949355 2.953932 3.000425 2.992933 2.964137 2.951088 2.971500 2.990020 2.977250 2.987488 3.008933 2.871967 2.949053 2.904155 2.743200 2.670602 2.636584 2.647748 2.740621 2.677094 2.638166 2.685496 2.728176 2.578508 2.628568 2.599847 2.543765 2.628161 2.744821 2.737560 2.695055 2.770478 2.811788 2.792544 2.795404 2.778122 2.857302 2.906735 2.913209 2.913365 2.970183 9.745870 9.747804 9.765975 22.322841 57.406778 57.405960 57.406645 57.407742 57.411387 57.407227 57.406742 57.406403 57.406724 57.406157 57.405909 57.407620 57.403779 57.397207 57.392717 57.393187 57.395194 57.398071 57.395719 57.384900 57.397298 57.392011 57.399598 57.381023 57.381090 57.382343 57.383395 370.066587</array>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:totalkineticener">1.325654355997D+03</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT6792.400S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2018-03-21T20:08:08.000+01:00</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="340">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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340</array>
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="x:label"
                            size="340">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  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  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|28  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|41  H  1S|2S|42  H  1S|2S|43  H  1S|2S|44  H  1S|2S|45  H  1S|2S|46  H  1S|2S|47  H  1S|2S|48  H  1S|2S|49  H  1S|2S|50  H  1S|2S|51  H  1S|2S|52  H  1S|2S|53  H  1S|2S|54  H  1S|2S</array>
                     <matrix cols="1"
                             dataType="xsd:double"
                             dictRef="g:totaloccup"
                             rows="340">0.74953 1.22054 0.89683 1.08177 0.82701 0.19138 1.97546 1.97527 1.97525 0.00903 0.00916 0.00919 0.46903 0.46630 0.46576 0.08365 0.08430 0.07992 1.17431 0.81391 0.72648 0.64272 0.96256 0.76767 0.90397 0.08552 0.22880 -0.09602 1.17433 0.81391 0.72902 0.62770 0.79093 0.90499 0.93248 0.21320 -0.10595 0.10109 1.17433 0.81390 0.72854 0.63100 0.90837 0.91583 0.80429 -0.08661 0.11514 0.17786 1.17433 0.81391 0.72883 0.62930 0.84357 0.92807 0.85683 0.05051 0.02778 0.12694 1.17438 0.81393 0.75374 0.54895 0.93164 0.75033 0.93591 0.00985 0.22806 0.14685 1.17437 0.81389 0.75032 0.56571 0.92974 0.75812 0.93431 -0.03222 0.23490 0.21728 1.17440 0.81390 0.75846 0.39280 0.91484 0.75356 0.91941 -0.15430 0.17601 -0.31118 1.17429 0.81408 0.72253 0.60093 0.86350 0.86237 0.90536 0.07682 0.03703 0.17479 1.17436 0.81395 0.74984 0.55543 0.93066 0.77274 0.92704 0.13737 0.25346 0.17863 1.17433 0.81393 0.74831 0.54765 0.93450 0.77579 0.92794 0.12520 0.24556 0.13800 1.17438 0.81395 0.75302 0.54674 0.78358 0.93634 0.90093 0.21723 0.22416 -0.02130 1.17438 0.81395 0.75292 0.54724 0.92446 0.88992 0.80660 0.13535 0.08306 0.20292 1.17438 0.81395 0.75296 0.54695 0.86108 0.90840 0.85134 0.22327 -0.00883 0.20653 1.17438 0.81397 0.75477 0.54683 0.77735 0.93311 0.90720 0.17533 0.16895 0.05931 1.17438 0.81396 0.75478 0.54717 0.94384 0.88024 0.79357 0.22776 0.01361 0.16165 1.17438 0.81397 0.75470 0.54796 0.84817 0.93062 0.83907 0.16105 0.15523 0.08615 1.17438 0.81408 0.75398 0.52081 0.78633 0.92674 0.90945 0.19479 0.07483 0.10395 1.17438 0.81408 0.75397 0.52095 0.93445 0.88631 0.80186 0.15856 0.04829 0.16642 1.17438 0.81408 0.75396 0.52089 0.85116 0.92691 0.84453 0.12043 0.16601 0.08758 1.17439 0.81408 0.75457 0.51706 0.78887 0.93100 0.90124 0.21778 0.11881 0.03073 1.17439 0.81408 0.75455 0.51696 0.92195 0.89308 0.80612 0.02974 0.11433 0.22330 1.17439 0.81408 0.75457 0.51726 0.85750 0.90837 0.85524 0.19357 -0.01909 0.19275 1.17424 0.81430 0.72780 0.68139 0.91650 0.88034 0.92152 0.21451 0.15106 0.22669 1.17424 0.81430 0.72784 0.68145 0.91767 0.89684 0.90385 0.21682 0.18446 0.19114 1.17439 0.81412 0.75608 0.52809 0.78763 0.91411 0.91693 0.22098 -0.02564 0.15069 1.17439 0.81412 0.75609 0.52787 0.91707 0.89907 0.80254 -0.00674 0.16127 0.19175 1.17439 0.81412 0.75609 0.52783 0.84648 0.92184 0.85034 0.09791 0.09186 0.15642 0.51884 0.22911 0.51911 0.22852 0.51345 0.28052 0.52082 0.23878 0.52128 0.24011 0.51892 0.22506 0.51893 0.22451 0.51882 0.22433 0.51856 0.22715 0.51855 0.22656 0.51861 0.22683 0.52042 0.24641 0.52042 0.24636 0.52045 0.24650 0.52017 0.24890 0.52021 0.24907 0.52016 0.24890 0.51561 0.26994 0.51540 0.26807 0.51431 0.25498 0.51566 0.27016 0.51537 0.26787 0.51433 0.25506 0.51989 0.24784 0.51989 0.24782 0.51988 0.24785</matrix>
                  </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="54">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="54">Si C C C C C C C C C C C C C C C C 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 H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="54">1.430601 -0.209927 -0.181706 -0.182621 -0.180060 -0.293652 -0.346415 0.562076 -0.231699 -0.493491 -0.431216 -0.329039 -0.330798 -0.330014 -0.311211 -0.310967 -0.311304 -0.259327 -0.259286 -0.259922 -0.248519 -0.248502 -0.248654 -0.708347 -0.708605 -0.237390 -0.237430 -0.237288 0.252053 0.252365 0.206033 0.240408 0.238614 0.256016 0.256562 0.256849 0.254289 0.254888 0.254557 0.233165 0.233211 0.233048 0.230927 0.230719 0.230938 0.214446 0.216525 0.230718 0.214182 0.216760 0.230610 0.232271 0.232292 0.232268</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
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                           <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">23  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">24  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">25  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">26  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">27  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">28  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">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>
                           <scalar dataType="xsd:string" dictRef="x:label">41  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">42  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">43  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">44  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">45  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">46  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">47  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">48  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">49  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">50  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">51  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">52  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">53  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">54  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>
               </property>
               <property>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="340">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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340</array>
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="x:label"
                            size="340">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  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  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|28  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|41  H  1S|2S|42  H  1S|2S|43  H  1S|2S|44  H  1S|2S|45  H  1S|2S|46  H  1S|2S|47  H  1S|2S|48  H  1S|2S|49  H  1S|2S|50  H  1S|2S|51  H  1S|2S|52  H  1S|2S|53  H  1S|2S|54  H  1S|2S</array>
                     <matrix cols="1"
                             dataType="xsd:double"
                             dictRef="g:totaloccup"
                             rows="340">0.74953 1.22054 0.89696 1.08210 0.82253 0.25074 1.97441 1.97426 1.97422 0.00964 0.00974 0.00979 0.45783 0.45558 0.45464 0.09291 0.09199 0.09098 1.17439 0.81396 0.72677 0.65772 0.94176 0.76109 0.89481 0.09204 0.22902 -0.09006 1.17440 0.81396 0.72916 0.64236 0.78073 0.89690 0.91502 0.21875 -0.10416 0.10827 1.17440 0.81395 0.72871 0.64524 0.89695 0.89758 0.79804 -0.08178 0.12539 0.17801 1.17440 0.81396 0.72898 0.64364 0.83767 0.91159 0.84323 0.05008 0.03256 0.13645 1.17442 0.81396 0.75368 0.56117 0.92314 0.74760 0.92954 0.01188 0.23303 0.14448 1.17440 0.81393 0.75032 0.57837 0.92081 0.75562 0.92739 -0.03150 0.24111 0.20976 1.17445 0.81394 0.75776 0.41495 0.90728 0.74983 0.90973 -0.15452 0.17659 -0.29303 1.17432 0.81409 0.72219 0.61062 0.85405 0.85565 0.90847 0.07542 0.04526 0.17302 1.17440 0.81399 0.74964 0.56644 0.92142 0.76947 0.91986 0.12611 0.25773 0.17164 1.17437 0.81396 0.74802 0.56278 0.92477 0.77135 0.92072 0.12163 0.24947 0.13395 1.17441 0.81399 0.75286 0.56358 0.77547 0.93287 0.89360 0.22070 0.21725 -0.01915 1.17441 0.81398 0.75276 0.56396 0.91521 0.88107 0.80568 0.13063 0.08250 0.20734 1.17441 0.81399 0.75285 0.56364 0.86073 0.89849 0.84265 0.22332 -0.00698 0.20425 1.17442 0.81400 0.75480 0.56030 0.77031 0.92703 0.90190 0.18523 0.16268 0.05797 1.17442 0.81400 0.75483 0.56057 0.93796 0.87157 0.78972 0.22359 0.02012 0.16153 1.17442 0.81400 0.75476 0.56124 0.84337 0.92569 0.83037 0.15770 0.15485 0.09239 1.17442 0.81412 0.75391 0.53080 0.77974 0.92126 0.90234 0.20359 0.07080 0.09903 1.17442 0.81412 0.75391 0.53089 0.92689 0.87655 0.80000 0.15275 0.05550 0.16486 1.17442 0.81412 0.75391 0.53072 0.84859 0.91929 0.83553 0.11721 0.15956 0.09670 1.17442 0.81412 0.75454 0.52712 0.78246 0.92571 0.89398 0.22099 0.11520 0.02888 1.17442 0.81412 0.75452 0.52708 0.91350 0.88407 0.80457 0.03188 0.11173 0.22168 1.17442 0.81412 0.75454 0.52725 0.85512 0.89948 0.84754 0.19082 -0.01677 0.19118 1.17428 0.81433 0.72649 0.69069 0.90761 0.87329 0.91662 0.20803 0.15258 0.22949 1.17428 0.81433 0.72648 0.69091 0.90912 0.89082 0.89763 0.21111 0.18642 0.19308 1.17443 0.81415 0.75595 0.54026 0.78013 0.90672 0.91181 0.22558 -0.02301 0.14781 1.17443 0.81415 0.75596 0.54013 0.90746 0.89144 0.79971 -0.00250 0.16105 0.19198 1.17443 0.81415 0.75597 0.54002 0.84235 0.91415 0.84209 0.09877 0.09095 0.16088 0.51653 0.23487 0.51676 0.23744 0.51796 0.27389 0.51644 0.25195 0.51700 0.25247 0.51648 0.23385 0.51650 0.23346 0.51643 0.23322 0.51647 0.23343 0.51642 0.23254 0.51648 0.23301 0.51631 0.25521 0.51631 0.25514 0.51633 0.25537 0.51613 0.25752 0.51614 0.25768 0.51612 0.25751 0.51145 0.27642 0.51101 0.27726 0.51087 0.26167 0.51151 0.27687 0.51098 0.27702 0.51087 0.26167 0.51610 0.25592 0.51610 0.25588 0.51610 0.25590</matrix>
                  </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="54">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="54">Si C C C C C C C C C C C C C C C C 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 H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="54">1.381608 -0.201502 -0.175393 -0.176490 -0.172560 -0.292903 -0.340224 0.543027 -0.233092 -0.470694 -0.421024 -0.325578 -0.327550 -0.327354 -0.308627 -0.308311 -0.308786 -0.249991 -0.249887 -0.250033 -0.237419 -0.237569 -0.237703 -0.693404 -0.694174 -0.233826 -0.233815 -0.233773 0.248606 0.245799 0.208154 0.231614 0.230537 0.249669 0.250040 0.250347 0.250101 0.251033 0.250516 0.228475 0.228548 0.228303 0.226359 0.226172 0.226373 0.212123 0.211732 0.227461 0.211620 0.211993 0.227461 0.227988 0.228025 0.227999</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">-2.41876934e-01 6.34808722e-03 2.21639843e-02</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">-0.6148 0.0161 0.0563</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">0.6176</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-158.5749 -161.9863 -162.9043</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.7815 -0.0010 0.4314</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">2.5802 -0.8311 -1.7491 0.7815 -0.0010 0.4314</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-20.3250 -9.5066 38.8686 38.6282 16.7646 -3.3958 35.6593 0.1569 -30.1019 -2.4896</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-8545.0443 -3891.5450 -3872.6850 57.7809 -119.0921 37.8109 -51.8475 119.7232 46.8428 -2157.4278 -2017.7266 -1232.5449 1.7606 -48.8846 -80.9675</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">-1332.3736574</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">7.799E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">1.874E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">1.918329,-0.6178949,-1.3004341,0.5810509,-0.0007735,0.3207498</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C27H26Si1)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.2418769 0.0063481 0.022164</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="0.7292362"
                        y3="-0.0154515"
                        z3="-0.00596099">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">-0.000016378 0.000003427 0.000000180</array>
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      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
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                  <scalar dataType="xsd:string">GINC-KIMIK2074</scalar>
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                  <scalar dataType="xsd:string">000280164</scalar>
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                  <scalar dataType="xsd:string">21-Mar-2018</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">156</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C27H26Si)]</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="0.72924"
                        y3="-0.01545"
                        z3="-0.00596"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-1.17479"
                        y3="0.00265"
                        z3="0.16415"/>
                  <atom elementType="C"
                        id="a3"
                        x3="1.53442"
                        y3="-0.24393"
                        z3="1.71657"/>
                  <atom elementType="C"
                        id="a4"
                        x3="1.34198"
                        y3="1.6424"
                        z3="-0.74385"/>
                  <atom elementType="C"
                        id="a5"
                        x3="1.22511"
                        y3="-1.46326"
                        z3="-1.15802"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-1.81262"
                        y3="0.27596"
                        z3="1.40307"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-2.00773"
                        y3="-0.22518"
                        z3="-0.9681"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-4.04805"
                        y3="0.10199"
                        z3="0.37367"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-5.57344"
                        y3="0.15383"
                        z3="0.49486"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-3.22191"
                        y3="0.32308"
                        z3="1.50389"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-3.41398"
                        y3="-0.17532"
                        z3="-0.8665"/>
                  <atom elementType="C"
                        id="a12"
                        x3="1.65816"
                        y3="0.86157"
                        z3="2.60469"/>
                  <atom elementType="C"
                        id="a13"
                        x3="2.70384"
                        y3="2.03304"
                        z3="-0.60468"/>
                  <atom elementType="C"
                        id="a14"
                        x3="0.56343"
                        y3="-2.7198"
                        z3="-1.05899"/>
                  <atom elementType="C"
                        id="a15"
                        x3="1.98869"
                        y3="-1.51468"
                        z3="2.16364"/>
                  <atom elementType="C"
                        id="a16"
                        x3="0.47229"
                        y3="2.49838"
                        z3="-1.47321"/>
                  <atom elementType="C"
                        id="a17"
                        x3="2.27523"
                        y3="-1.3338"
                        z3="-2.10745"/>
                  <atom elementType="C"
                        id="a18"
                        x3="2.21126"
                        y3="0.7031"
                        z3="3.89586"/>
                  <atom elementType="C"
                        id="a19"
                        x3="3.18228"
                        y3="3.2328"
                        z3="-1.17885"/>
                  <atom elementType="C"
                        id="a20"
                        x3="0.94131"
                        y3="-3.81073"
                        z3="-1.87449"/>
                  <atom elementType="C"
                        id="a21"
                        x3="2.54434"
                        y3="-1.67837"
                        z3="3.45374"/>
                  <atom elementType="C"
                        id="a22"
                        x3="0.94556"
                        y3="3.7004"
                        z3="-2.04852"/>
                  <atom elementType="C"
                        id="a23"
                        x3="2.65609"
                        y3="-2.42159"
                        z3="-2.92684"/>
                  <atom elementType="C"
                        id="a24"
                        x3="-6.22002"
                        y3="-1.21719"
                        z3="0.15985"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-6.1794"
                        y3="1.27909"
                        z3="-0.38636"/>
                  <atom elementType="C"
                        id="a26"
                        x3="2.65438"
                        y3="-0.56985"
                        z3="4.32469"/>
                  <atom elementType="C"
                        id="a27"
                        x3="2.30312"
                        y3="4.06947"
                        z3="-1.90527"/>
                  <atom elementType="C"
                        id="a28"
                        x3="1.99162"
                        y3="-3.66441"
                        z3="-2.8105"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-1.20708"
                        y3="0.4402"
                        z3="2.30294"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.55133"
                        y3="-0.4607"
                        z3="-1.93841"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-5.81515"
                        y3="0.38928"
                        z3="1.55123"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-3.68797"
                        y3="0.53181"
                        z3="2.47552"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-4.02173"
                        y3="-0.35789"
                        z3="-1.76149"/>
                  <atom elementType="H"
                        id="a34"
                        x3="1.33405"
                        y3="1.85877"
                        z3="2.28001"/>
                  <atom elementType="H"
                        id="a35"
                        x3="3.39458"
                        y3="1.40302"
                        z3="-0.02938"/>
                  <atom elementType="H"
                        id="a36"
                        x3="-0.26546"
                        y3="-2.84363"
                        z3="-0.35009"/>
                  <atom elementType="H"
                        id="a37"
                        x3="1.92145"
                        y3="-2.38202"
                        z3="1.49566"/>
                  <atom elementType="H"
                        id="a38"
                        x3="-0.58629"
                        y3="2.23257"
                        z3="-1.58173"/>
                  <atom elementType="H"
                        id="a39"
                        x3="2.79176"
                        y3="-0.37274"
                        z3="-2.21933"/>
                  <atom elementType="H"
                        id="a40"
                        x3="2.29895"
                        y3="1.56897"
                        z3="4.56232"/>
                  <atom elementType="H"
                        id="a41"
                        x3="4.23448"
                        y3="3.51487"
                        z3="-1.05677"/>
                  <atom elementType="H"
                        id="a42"
                        x3="0.41614"
                        y3="-4.76854"
                        z3="-1.78279"/>
                  <atom elementType="H"
                        id="a43"
                        x3="2.89253"
                        y3="-2.66654"
                        z3="3.77616"/>
                  <atom elementType="H"
                        id="a44"
                        x3="0.25656"
                        y3="4.34776"
                        z3="-2.6034"/>
                  <atom elementType="H"
                        id="a45"
                        x3="3.46592"
                        y3="-2.29816"
                        z3="-3.65529"/>
                  <atom elementType="H"
                        id="a46"
                        x3="-6.01822"
                        y3="-1.50568"
                        z3="-0.88853"/>
                  <atom elementType="H"
                        id="a47"
                        x3="-7.31701"
                        y3="-1.17197"
                        z3="0.29296"/>
                  <atom elementType="H"
                        id="a48"
                        x3="-5.82314"
                        y3="-2.01593"
                        z3="0.81187"/>
                  <atom elementType="H"
                        id="a49"
                        x3="-5.9810"
                        y3="1.09465"
                        z3="-1.45856"/>
                  <atom elementType="H"
                        id="a50"
                        x3="-7.27576"
                        y3="1.33057"
                        z3="-0.25015"/>
                  <atom elementType="H"
                        id="a51"
                        x3="-5.75019"
                        y3="2.26373"
                        z3="-0.12775"/>
                  <atom elementType="H"
                        id="a52"
                        x3="3.08555"
                        y3="-0.69529"
                        z3="5.32473"/>
                  <atom elementType="H"
                        id="a53"
                        x3="2.67074"
                        y3="5.00166"
                        z3="-2.34977"/>
                  <atom elementType="H"
                        id="a54"
                        x3="2.28513"
                        y3="-4.50796"
                        z3="-3.44608"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a9 a31" order="S"/>
                  <bond atomRefs2="a10 a32" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a37" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a40" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a27" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a24 a46" order="S"/>
                  <bond atomRefs2="a24 a48" order="S"/>
                  <bond atomRefs2="a25 a50" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
               </bondArray>
               <formula concise="C27H26Si"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">352.37439999999975</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/C27H26Si/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-22H,1-2H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,25,26,27,28,18,21,19,22,20,23,12,15,13,16,14,17,10,11,6,7,9,8,3,4,5,2,1/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(18,19)(20,21)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,23.3,24.3,25.3,26.3,27.3/rA:54SiC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s2;;s8;s6s8;s7s8;s3;s4;s5;s3;s4;s5;s12;s13;s14;s15;s16;s17;s9;s9;s18s21;s19s22;s20s23;s6;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s27;s28;/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-32420.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=000280164-Freq.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=4</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=3GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p freq=noraman PBEPBE/SDD</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/10=4,30=1,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,98=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">8/6=4,10=90,11=11/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">11/6=1,8=1,9=11,15=111,16=1/1,2,10</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">10/6=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,18=1,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/8=1,10=1,25=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/10=4,30=1/3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">000280164</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">28 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="54">27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">0 0 0 0 0 0 0 0 0 0 0 0 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 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="54">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 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">0.000137 0.000032 0.055034 0.019291</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">-5.336286e-06</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 10F)</scalar>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:double" dictRef="cc:nucrepener">2529.5442322232</scalar>
                     <module cmlx:templateRef="symaddnuc">
                        <scalar dataType="xsd:integer" dictRef="cc:basiscount">340</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:primbasis">788</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">340</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:alphae">101</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:betae">101</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">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">54</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">54</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.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C27H26Si</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="0.812369"
                                 y3="-0.01103"
                                 z3="-0.006267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-1.091622"
                                 y3="0.019227"
                                 z3="0.162538">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="1.61719"
                                 y3="-0.150754"
                                 z3="1.725893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="1.42798"
                                 y3="1.605007"
                                 z3="-0.829581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="1.305695"
                                 y3="-1.517814"
                                 z3="-1.081206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-1.728945"
                                 y3="0.357893"
                                 z3="1.385467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.924976"
                                 y3="-0.265895"
                                 z3="-0.956344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-3.964699"
                                 y3="0.134356"
                                 z3="0.366385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-5.489994"
                                 y3="0.1951"
                                 z3="0.484606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-3.138155"
                                 y3="0.412657"
                                 z3="1.483596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-3.331138"
                                 y3="-0.208366"
                                 z3="-0.857587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="1.742867"
                                 y3="0.999349"
                                 z3="2.555149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="2.790517"
                                 y3="2.000006"
                                 z3="-0.71088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="0.641831"
                                 y3="-2.766326"
                                 z3="-0.916818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="2.069258"
                                 y3="-1.397237"
                                 z3="2.238671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="0.559768"
                                 y3="2.423289"
                                 z3="-1.602654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="2.356024"
                                 y3="-1.439884"
                                 z3="-2.036023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a18"
                                 x3="2.295726"
                                 y3="0.907478"
                                 z3="3.852865">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="3.271037"
                                 y3="3.167354"
                                 z3="-1.346813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a20"
                                 x3="1.017802"
                                 y3="-3.898966"
                                 z3="-1.674278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="2.624648"
                                 y3="-1.494379"
                                 z3="3.53559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a22"
                                 x3="1.035109"
                                 y3="3.592838"
                                 z3="-2.239848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a23"
                                 x3="2.734977"
                                 y3="-2.569589"
                                 z3="-2.797534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a24"
                                 x3="-6.138963"
                                 y3="-1.190398"
                                 z3="0.221517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-6.094016"
                                 y3="1.273915"
                                 z3="-0.454151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="2.736631"
                                 y3="-0.342133"
                                 z3="4.347544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a27"
                                 x3="2.393315"
                                 y3="3.966524"
                                 z3="-2.115943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a28"
                                 x3="2.06834"
                                 y3="-3.803495"
                                 z3="-2.616574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-1.123102"
                                 y3="0.567793"
                                 z3="2.275592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.469005"
                                 y3="-0.5525"
                                 z3="-1.913017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-5.731266"
                                 y3="0.485752"
                                 z3="1.527235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="-3.603829"
                                 y3="0.672593"
                                 z3="2.442985">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-3.939221"
                                 y3="-0.436306"
                                 z3="-1.741875">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="1.420493"
                                 y3="1.978824"
                                 z3="2.178872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="3.480177"
                                 y3="1.399654"
                                 z3="-0.103458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-0.187254"
                                 y3="-2.851574"
                                 z3="-0.20248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="2.000499"
                                 y3="-2.298124"
                                 z3="1.616831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-0.499279"
                                 y3="2.15402"
                                 z3="-1.697233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="2.874225"
                                 y3="-0.486868"
                                 z3="-2.197843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="2.384936"
                                 y3="1.806777"
                                 z3="4.473266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="4.323728"
                                 y3="3.453579"
                                 z3="-1.239535">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="0.490967"
                                 y3="-4.849777"
                                 z3="-1.532777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a43"
                                 x3="2.971129"
                                 y3="-2.464991"
                                 z3="3.909135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.347226"
                                 y3="4.211577"
                                 z3="-2.827784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="3.544999"
                                 y3="-2.485731"
                                 z3="-3.531375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="-5.93769"
                                 y3="-1.533534"
                                 z3="-0.810379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="-7.23587"
                                 y3="-1.136397"
                                 z3="0.352004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="-5.743458"
                                 y3="-1.954732"
                                 z3="0.914332">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="-5.89596"
                                 y3="1.033463"
                                 z3="-1.515263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="-7.190284"
                                 y3="1.334338"
                                 z3="-0.320889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-5.663082"
                                 y3="2.269959"
                                 z3="-0.247222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="3.167605"
                                 y3="-0.415993"
                                 z3="5.352796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a53"
                                 x3="2.762546"
                                 y3="4.87362"
                                 z3="-2.608438">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a54"
                                 x3="2.360377"
                                 y3="-4.679559"
                                 z3="-3.207266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a12" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a4 a16" order="S"/>
                           <bond atomRefs2="a5 a14" order="S"/>
                           <bond atomRefs2="a5 a17" order="S"/>
                           <bond atomRefs2="a6 a10" order="S"/>
                           <bond atomRefs2="a6 a29" order="S"/>
                           <bond atomRefs2="a7 a11" order="S"/>
                           <bond atomRefs2="a7 a30" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a9 a24" order="S"/>
                           <bond atomRefs2="a9 a25" order="S"/>
                           <bond atomRefs2="a9 a31" order="S"/>
                           <bond atomRefs2="a10 a32" order="S"/>
                           <bond atomRefs2="a11 a33" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a34" order="S"/>
                           <bond atomRefs2="a13 a19" order="S"/>
                           <bond atomRefs2="a13 a35" order="S"/>
                           <bond atomRefs2="a14 a20" order="S"/>
                           <bond atomRefs2="a14 a36" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                           <bond atomRefs2="a15 a37" order="S"/>
                           <bond atomRefs2="a16 a22" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                           <bond atomRefs2="a17 a23" order="S"/>
                           <bond atomRefs2="a17 a39" order="S"/>
                           <bond atomRefs2="a18 a26" order="S"/>
                           <bond atomRefs2="a18 a40" order="S"/>
                           <bond atomRefs2="a19 a27" order="S"/>
                           <bond atomRefs2="a19 a41" order="S"/>
                           <bond atomRefs2="a20 a28" order="S"/>
                           <bond atomRefs2="a20 a42" order="S"/>
                           <bond atomRefs2="a21 a26" order="S"/>
                           <bond atomRefs2="a21 a43" order="S"/>
                           <bond atomRefs2="a22 a27" order="S"/>
                           <bond atomRefs2="a22 a44" order="S"/>
                           <bond atomRefs2="a23 a28" order="S"/>
                           <bond atomRefs2="a23 a45" order="S"/>
                           <bond atomRefs2="a24 a47" order="S"/>
                           <bond atomRefs2="a24 a46" order="S"/>
                           <bond atomRefs2="a24 a48" order="S"/>
                           <bond atomRefs2="a25 a50" order="S"/>
                           <bond atomRefs2="a25 a49" order="S"/>
                           <bond atomRefs2="a25 a51" order="S"/>
                           <bond atomRefs2="a26 a52" order="S"/>
                           <bond atomRefs2="a27 a53" order="S"/>
                           <bond atomRefs2="a28 a54" order="S"/>
                        </bondArray>
                        <formula concise="C27H26Si"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">352.37439999999975</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C27H26Si/c1-22(2)23-18-20-27(21-19-23)28(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-22H,1-2H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,25,26,27,28,18,21,19,22,20,23,12,15,13,16,14,17,10,11,6,7,9,8,3,4,5,2,1/E:(1,2)(3,4,5)(6,7,8,9,10,11)(12,13,14,15,16,17)(18,19)(20,21)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,23.3,24.3,25.3,26.3,27.3/rA:54SiC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3CCC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s1;s2;s2;;s8;s6s8;s7s8;s3;s4;s5;s3;s4;s5;s12;s13;s14;s15;s16;s17;s9;s9;s18s21;s19s22;s20s23;s6;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s24;s24;s25;s25;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.1753344 0.1107517 0.1095668</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= 25200 NPrTT= 126918 LenC2= 21315 LenP2D= 63981.</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= 340 RedAO= T EigKep= 7.00D-04 NBF= 340</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 340 1.00D-06 EigRej= -1.00D+00 NBFU= 340</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= 321 322 322 322 322 MxSgAt= 54 MxSgA2= 54.</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">-1331.89546200037</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.06504110234</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.169579101970</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.34077178870</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.275730686357</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.33227496968</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.008496819019</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37241185448</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.040136884800</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37349134855</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001079494064</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37354204077</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000050692225</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37355537207</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000013331300</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37368367827</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000128306195</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369724716</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000013568896</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369446860</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000002778559</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369785951</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000003390905</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369788815</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000028643</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369788944</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001286</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369788969</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000254</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1332.37369788973</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000040</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">-1332.37369789</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">16</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.325654072501e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-8.168089306556e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">2.980517303942e+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">IVT=      370102 IEndB=      370102 NGot=   402653184 MDV=   402415663</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   402415663 LenY=   402299622</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">Fock matrices will be formed incrementally for  20 cycles.</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=    54.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     55 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=11111111111111111111111111111111111111111111111111</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="1">IDoAtm=1111</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= 402652300 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="6">Solving linear equations simultaneously, MaxMat= 0.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="11">FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">IRaf= 730000000 NMat= 165 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 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= 500 IOpCl= 0 I1Cent= 0 NGrid= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">NMat0= 165 NMatS0= 165 NMatT0= 0 NMatD0= 165 NMtDS0= 0 NMtDT0= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">Integrals replicated using symmetry in FoFCou.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="14">There are 165 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">162 vectors produced by pass 0 Test12= 2.41D-14 1.00D-09 XBig12= 5.42D+02 6.73D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 162 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">162 vectors produced by pass 1 Test12= 2.41D-14 1.00D-09 XBig12= 1.33D+02 1.65D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">162 vectors produced by pass 2 Test12= 2.41D-14 1.00D-09 XBig12= 5.09D-01 5.35D-02.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">162 vectors produced by pass 3 Test12= 2.41D-14 1.00D-09 XBig12= 1.04D-04 6.36D-04.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">107 vectors produced by pass 4 Test12= 2.41D-14 1.00D-09 XBig12= 4.20D-08 1.86D-05.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">13 vectors produced by pass 5 Test12= 2.41D-14 1.00D-09 XBig12= 5.74D-12 1.53D-07.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">3 vectors produced by pass 6 Test12= 2.41D-14 1.00D-09 XBig12= 3.22D-15 4.12D-09.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 4.26D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 771 with 165 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 310.79 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">336.554 4.507 302.956 3.695 0.119 292.852</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">567.804 14.293 553.848 8.987 7.265 543.579</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">PT14733.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2018-03-21T21:09:45.000+01:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="101">-65.44231 -9.90899 -9.90724 -9.90597 -9.90592 -9.90589 -9.90423 -9.90419 -9.90417 -9.90375 -9.90366 -9.90366 -9.90337 -9.90328 -9.90327 -9.90223 -9.90222 -9.90219 -9.90135 -9.90003 -9.89873 -9.89832 -9.89576 -9.89573 -9.89570 -9.89249 -9.88248 -9.88238 -5.06372 -3.47409 -3.47405 -3.47392 -0.77392 -0.77006 -0.76772 -0.76762 -0.72073 -0.67852 -0.67131 -0.66992 -0.66973 -0.66832 -0.66473 -0.66435 -0.65242 -0.61203 -0.55945 -0.54706 -0.54070 -0.53876 -0.53803 -0.53591 -0.53005 -0.52997 -0.50083 -0.48171 -0.45750 -0.45702 -0.44581 -0.42408 -0.40863 -0.39953 -0.39843 -0.39691 -0.39368 -0.39351 -0.39287 -0.38730 -0.37504 -0.37167 -0.36931 -0.36857 -0.36758 -0.36437 -0.36411 -0.34868 -0.34686 -0.33684 -0.32513 -0.32089 -0.31997 -0.31735 -0.31372 -0.30172 -0.29721 -0.29611 -0.29576 -0.29374 -0.29184 -0.27850 -0.26299 -0.26182 -0.25929 -0.22773 -0.22584 -0.22469 -0.22215 -0.22123 -0.21915 -0.21836 -0.21146</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="239">-0.05076 -0.04438 -0.04279 -0.03960 -0.03818 -0.03251 -0.03217 -0.03044 0.06536 0.07233 0.07276 0.07297 0.09204 0.09487 0.09748 0.10261 0.10352 0.11279 0.11348 0.12138 0.12453 0.12624 0.12750 0.13325 0.13426 0.13605 0.13933 0.14286 0.14351 0.14438 0.15055 0.15142 0.16058 0.16238 0.16393 0.16834 0.17111 0.17227 0.17480 0.17904 0.18393 0.19024 0.19630 0.19891 0.20899 0.21928 0.22109 0.22220 0.22411 0.22969 0.23473 0.23768 0.24316 0.25019 0.25581 0.25737 0.26073 0.26532 0.26821 0.27171 0.27674 0.27953 0.28323 0.28713 0.29163 0.29316 0.29634 0.30393 0.31065 0.31575 0.31750 0.31884 0.32676 0.33077 0.33646 0.34106 0.35308 0.35411 0.35570 0.36355 0.36566 0.36880 0.37169 0.37282 0.37489 0.38012 0.38230 0.38413 0.38628 0.39028 0.39652 0.39932 0.40248 0.40584 0.41080 0.41248 0.41653 0.41739 0.42307 0.42548 0.42910 0.43468 0.43776 0.44400 0.44521 0.44767 0.44920 0.45132 0.45725 0.46274 0.46385 0.47053 0.47504 0.48030 0.48644 0.49693 0.50676 0.50999 0.52095 0.53865 0.54379 0.54758 0.55165 0.55832 0.56051 0.57516 0.57725 0.58718 0.59263 0.60633 0.62059 0.62305 0.62480 0.62739 0.63590 0.63872 0.64341 0.65157 0.65402 0.66937 0.67517 0.68212 0.69754 0.71344 0.72299 0.72821 0.73030 0.73496 0.75255 0.76644 0.77894 0.79795 0.83208 0.83342 0.86662 0.88206 0.89209 0.90695 0.91148 0.92004 0.92741 0.93116 0.93887 0.94229 0.94968 0.95407 0.96590 0.96757 0.99577 1.00140 1.00750 1.01969 1.02731 1.03231 1.04510 1.05092 1.06547 1.06972 1.08007 1.08599 1.09426 1.11273 1.11423 1.12869 1.13227 1.13869 1.14338 1.15258 1.19026 1.19406 1.19909 1.21278 1.23413 1.24566 1.25988 1.28369 1.29868 1.30384 1.35913 1.36837 1.38281 1.39066 1.43072 1.50366 1.50677 1.51144 1.52876 5.18788 5.19189 5.23710 5.77115 22.33865 22.35915 22.36643 22.38783 22.54533 22.54859 22.55422 22.55875 22.56765 22.57296 22.58004 22.58730 22.61354 22.62544 22.66188 22.66268 22.66582 22.67464 22.68354 22.68579 22.68815 22.69262 22.74562 22.78649 22.78669 22.78856 22.80752 143.15824</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="54">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="54">Si C C C C C C C C C C C C C C C C 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 H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="54">1.381271 -0.201445 -0.175481 -0.176475 -0.172514 -0.292924 -0.340211 0.543093 -0.233111 -0.470706 -0.420984 -0.325414 -0.327561 -0.327366 -0.308654 -0.308277 -0.308829 -0.249935 -0.249844 -0.250007 -0.237405 -0.237511 -0.237701 -0.693453 -0.694188 -0.233838 -0.233836 -0.233781 0.248610 0.245800 0.208162 0.231611 0.230530 0.249668 0.250041 0.250363 0.250121 0.251040 0.250496 0.228470 0.228543 0.228290 0.226355 0.226155 0.226374 0.212131 0.211741 0.227462 0.211623 0.211994 0.227459 0.227999 0.228045 0.228005</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="28">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="28">Si C C C C C C C C C C C C C C C C C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="28">1.381271 -0.201445 -0.175481 -0.176475 -0.172514 -0.044314 -0.094411 0.543093 -0.024949 -0.239095 -0.190454 -0.075746 -0.077521 -0.077003 -0.058532 -0.057237 -0.058332 -0.021465 -0.021301 -0.021717 -0.011051 -0.011356 -0.011327 -0.042119 -0.043113 -0.005838 -0.005791 -0.005776</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">-2.41910552e-01 7.95373750e-03 2.17946851e-02</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
                            size="6">3.36554168e+02 4.50722002e+00 3.02956263e+02 3.69495935e+00 1.19397361e-01 2.92852077e+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">-0.0011 -0.0005 0.0007 2.2605 4.9085 9.7703 24.6647 29.4419 30.8826</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations">
                        <array dataType="xsd:integer" dictRef="x:serial" size="156">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:irrep"
                               size="156">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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="156">24.6488 29.2389 30.8548 32.8661 37.3826 44.1087 52.3215 53.1148 55.0291 60.5874 92.2490 137.9246 167.8184 178.4099 179.5016 197.8524 206.1065 217.6307 229.2018 233.6916 239.9501 249.1899 274.0825 316.2092 364.2485 392.7148 393.3707 395.3849 399.0564 419.6509 438.6098 455.7887 472.7725 497.4370 517.2458 522.8225 560.0075 607.5984 615.6523 616.4923 618.3926 635.0519 672.1642 694.6831 695.0207 707.4529 708.0410 709.4980 743.7054 748.7341 749.0748 752.9742 760.5827 840.0354 859.1775 862.3954 863.5384 867.8349 889.6182 918.8109 928.2747 929.3854 932.3117 955.1903 966.2012 980.6690 982.5215 983.5283 986.8518 987.7032 987.7703 988.2134 998.4722 999.2636 999.8297 1011.4866 1022.4645 1023.5621 1023.7903 1047.5636 1074.4549 1075.0349 1077.5444 1094.7067 1100.1314 1101.5143 1102.1269 1111.5805 1112.7757 1156.3647 1172.9120 1172.9841 1173.1489 1198.1446 1198.3287 1199.0717 1201.4866 1223.4073 1294.2955 1310.3849 1310.5793 1311.0692 1314.1053 1316.2980 1363.7160 1364.3374 1365.4823 1372.1172 1377.3715 1393.7853 1398.2511 1418.1067 1419.0048 1420.8059 1465.7460 1467.8820 1470.3292 1470.7565 1471.7544 1477.4774 1480.8620 1493.6787 1561.0152 1575.9024 1576.4062 1577.5727 1596.3354 1596.8621 1597.3528 1607.2266 2974.4515 2977.2965 2980.7500 3067.3611 3074.4570 3077.5419 3081.9337 3103.8548 3108.1997 3110.5751 3110.9402 3111.4462 3117.4303 3118.0996 3118.5573 3127.3246 3128.8977 3129.4339 3130.0726 3133.8515 3140.6780 3141.0201 3141.3872 3157.8953 3158.2334 3158.7323</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="156">4.3984 3.0705 4.0592 3.9937 4.3129 4.3337 4.8957 4.1260 4.9197 3.6633 3.8642 4.0582 4.6834 3.7612 3.8959 1.6854 1.9815 3.7575 5.0000 2.1269 1.8338 4.8414 3.0281 2.8389 4.5366 2.7763 2.7808 2.8097 2.8439 4.2929 5.0316 4.4222 3.1741 6.1352 5.0521 4.3840 2.8396 4.0185 6.4495 6.4225 5.9290 6.8183 6.2227 6.5565 6.6502 1.8009 1.7611 1.9216 2.7398 1.8768 1.9154 1.9413 3.6405 1.5637 1.2466 1.2468 1.2472 1.2433 2.5582 1.1859 1.3569 1.3544 1.3451 1.4523 1.3219 1.4010 1.4200 1.4192 1.5700 5.2234 4.9315 4.7190 1.3107 1.3115 1.3117 3.6215 3.1982 3.0250 3.0296 1.7024 1.7282 1.7167 1.7049 2.6495 2.8044 2.8258 2.7563 1.9154 2.1199 1.7542 1.0566 1.0566 1.0565 1.1298 1.1296 1.1308 1.1364 1.8876 1.5645 1.4888 1.5489 1.3708 1.5289 1.5972 4.4634 4.7961 4.9322 2.5096 1.1981 1.5125 1.8144 2.1392 2.1373 2.1449 1.0469 1.0495 2.0228 2.0158 2.0159 1.0512 1.3317 1.5874 6.1008 5.4746 5.5194 5.5710 5.7923 5.7817 5.8044 6.0977 1.0348 1.0360 1.0835 1.1000 1.0992 1.1005 1.0996 1.0866 1.0870 1.0868 1.0867 1.0865 1.0860 1.0859 1.0862 1.0952 1.0913 1.0913 1.0914 1.0966 1.0958 1.0958 1.0959 1.1015 1.1015 1.1015</array>
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               <property>
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      </module>
   </module>
</module>
