<?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-KIMIK2070</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000018819</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">25-Apr-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(6D, 10F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">opt=(loose)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">pop=(full,Hirshfeld,</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">NPA)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GFInput</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="2.5370"
                        y3="0.0251"
                        z3="0.0507"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-4.0996"
                        y3="-0.1415"
                        z3="-1.4726"/>
                  <atom elementType="O"
                        id="a3"
                        x3="3.4872"
                        y3="-0.4401"
                        z3="-1.2556"/>
                  <atom elementType="O"
                        id="a4"
                        x3="2.8227"
                        y3="-1.0195"
                        z3="1.3352"/>
                  <atom elementType="O" id="a5" x3="2.9898" y3="1.5772" z3="0.5095"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-3.5239"
                        y3="-1.1639"
                        z3="-0.6575"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-4.5231"
                        y3="-0.1886"
                        z3="-0.0957"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-1.6878"
                        y3="0.3887"
                        z3="0.1441"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.0664"
                        y3="-1.0127"
                        z3="-0.3627"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.0829"
                        y3="0.9958"
                        z3="0.7032"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-2.6611"
                        y3="0.8402"
                        z3="1.2435"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-0.2485"
                        y3="0.3994"
                        z3="0.6564"/>
                  <atom elementType="C"
                        id="a13"
                        x3="0.7339"
                        y3="-0.0047"
                        z3="-0.4436"/>
                  <atom elementType="C"
                        id="a14"
                        x3="4.8999"
                        y3="-0.4921"
                        z3="-1.1139"/>
                  <atom elementType="C"
                        id="a15"
                        x3="2.5456"
                        y3="-2.4043"
                        z3="1.1838"/>
                  <atom elementType="C"
                        id="a16"
                        x3="2.8769"
                        y3="2.6409"
                        z3="-0.4249"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.8259"
                        y3="-2.1853"
                        z3="-0.8416"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-5.5374"
                        y3="-0.5052"
                        z3="0.0994"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.7647"
                        y3="1.0995"
                        z3="-0.6903"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-1.5236"
                        y3="-1.2525"
                        z3="-1.2829"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-1.7900"
                        y3="-1.7677"
                        z3="0.3837"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-4.7691"
                        y3="1.1444"
                        z3="1.5448"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-4.1476"
                        y3="1.8986"
                        z3="0.0838"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-2.3382"
                        y3="1.7958"
                        z3="1.6735"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.6594"
                        y3="0.1063"
                        z3="2.0598"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-0.1508"
                        y3="-0.2747"
                        z3="1.5179"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-0.0039"
                        y3="1.4059"
                        z3="1.0207"/>
                  <atom elementType="H"
                        id="a28"
                        x3="0.5345"
                        y3="-1.0264"
                        z3="-0.7804"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.5981"
                        y3="0.6473"
                        z3="-1.3145"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.3254"
                        y3="-0.8132"
                        z3="-2.0696"/>
                  <atom elementType="H"
                        id="a31"
                        x3="5.1952"
                        y3="-1.2199"
                        z3="-0.3503"/>
                  <atom elementType="H"
                        id="a32"
                        x3="5.3113"
                        y3="0.4945"
                        z3="-0.8745"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.8444"
                        y3="-2.9125"
                        z3="2.1058"/>
                  <atom elementType="H"
                        id="a34"
                        x3="3.1184"
                        y3="-2.8395"
                        z3="0.3575"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.4744"
                        y3="-2.5782"
                        z3="1.0353"/>
                  <atom elementType="H"
                        id="a36"
                        x3="1.8304"
                        y3="2.8209"
                        z3="-0.6937"/>
                  <atom elementType="H"
                        id="a37"
                        x3="3.4718"
                        y3="2.4492"
                        z3="-1.3246"/>
                  <atom elementType="H"
                        id="a38"
                        x3="3.2636"
                        y3="3.5492"
                        z3="0.0474"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a29" order="S"/>
                  <bond atomRefs2="a13 a28" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a32" order="S"/>
                  <bond atomRefs2="a14 a30" order="S"/>
                  <bond atomRefs2="a15 a34" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
               </bondArray>
               <formula concise="C 11 H 22 O 4 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27205.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=000018819.chk</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=4</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=3GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=3,28=1,40=-1,79=1/1,7</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,14=-1,18=20,19=15,26=3/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=-1,14=-1,18=20,19=15,26=3/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=3,19=2,28=1,40=-1,79=1/1,7</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">000018819</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="38">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="38">28 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="38">27.9769284 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="38">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</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="38">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /mnt/data/applications/G09/g09/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Initialization pass.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="39">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">1 1 1 1 2 2 3 4 5 6 6 6 7 7 8 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">3 4 5 13 6 7 14 15 16 7 9 17 10 18 9 11 12 19 20 21 11 22 23 24 25 13 26 27 28 29 30 31 32 33 34 35 36 37 38</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="39">1.681 1.6801 1.6806 1.8699 1.4287 1.4413 1.4207 1.4203 1.4203 1.5051 1.4947 1.0809 1.4949 1.0803 1.5376 1.5362 1.5278 1.0988 1.0949 1.0971 1.5289 1.096 1.0968 1.0965 1.0977 1.5292 1.0982 1.098 1.0941 1.0964 1.0943 1.0954 1.0954 1.0944 1.0956 1.0953 1.0954 1.0955 1.0944</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="73">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="73">3 3 3 4 4 5 1 1 1 2 2 7 7 9 2 2 6 6 10 9 9 9 11 11 12 6 6 6 8 8 20 7 7 7 11 11 22 8 8 8 10 10 24 8 8 8 13 13 26 1 1 1 12 12 28 3 3 3 30 30 31 4 4 4 33 33 34 5 5 5 36 36 37</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="73">1 1 1 1 1 1 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="73">4 5 13 5 13 13 14 15 16 9 17 9 17 17 10 18 10 18 18 11 12 19 12 19 19 8 20 21 20 21 21 11 22 23 22 23 23 10 24 25 24 25 25 13 26 27 26 27 27 12 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="73">109.0224 108.3865 109.5873 108.6429 110.8654 110.2847 119.6492 119.4404 119.3817 115.6626 117.8056 120.5441 119.3685 113.68 113.4599 117.256 121.1575 120.0543 114.3393 110.3508 110.4188 108.788 110.7842 107.9985 108.4232 113.4107 107.187 108.0744 110.7661 109.9356 107.2274 112.4606 109.4763 109.45 108.945 109.7675 106.5661 111.481 110.5005 109.5555 108.8888 109.4067 106.8928 111.2331 110.032 109.1197 110.177 109.7423 106.4136 115.1587 105.7833 108.66 110.556 109.5531 106.7524 108.0752 111.2162 111.2397 107.9996 108.0057 110.17 108.0403 111.45 111.1025 107.9513 107.9094 110.2424 111.1281 111.474 108.0336 110.245 107.8854 107.9263</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="73">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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="94">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="94">4 5 13 3 5 13 3 4 13 3 3 3 4 4 4 5 5 5 1 1 1 1 1 1 1 1 1 9 9 17 17 2 2 2 7 7 7 17 17 17 2 2 2 6 6 6 18 18 18 11 11 11 12 12 12 19 19 19 9 9 9 12 12 12 19 19 19 9 9 9 11 11 11 19 19 19 7 7 7 22 22 22 23 23 23 8 8 8 26 26 26 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="94">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="94">3 3 3 4 4 4 5 5 5 13 13 13 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="94">14 14 14 15 15 15 16 16 16 12 28 29 12 28 29 12 28 29 30 31 32 33 34 35 36 37 38 10 18 10 18 8 20 21 8 20 21 8 20 21 11 22 23 11 22 23 11 22 23 6 20 21 6 20 21 6 20 21 10 24 25 10 24 25 10 24 25 13 26 27 13 26 27 13 26 27 8 24 25 8 24 25 8 24 25 1 28 29 1 28 29 1 28 29</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="94">-58.4966 59.5975 179.9987 -60.727 -178.6597 59.9974 59.9708 178.3062 -59.9955 -179.9983 57.598 -56.7075 59.6125 -62.7911 -177.0967 -60.7591 176.8372 62.5316 -179.9467 61.6691 -61.5413 177.1904 58.7507 -64.6225 64.5339 -58.8786 -177.2975 3.5052 -151.488 153.6373 -1.356 49.5141 -73.0562 171.6638 -17.8953 -140.4656 104.2544 -169.6074 67.8223 -47.4577 -84.2849 154.461 37.9982 -18.7018 -139.9559 103.5813 137.6211 16.367 -100.0958 47.1527 167.7194 -73.9562 169.9678 -69.4655 48.8589 -71.1608 49.4059 167.7303 -64.1759 174.5885 57.0703 173.2229 51.9872 -65.5309 54.62 -66.6156 175.8662 59.2895 -63.0906 -179.496 -178.1488 59.4711 -56.9343 -59.8036 177.8163 61.4109 48.6036 170.7733 -72.7292 170.161 -67.6694 48.8281 -73.4998 48.6699 165.1673 178.1102 -62.0832 55.2949 -59.5935 60.213 177.5912 57.2608 177.0674 -65.5544</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="94">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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">216</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:allowedstep">228</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">38</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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= 10440 NPrTT= 51122 LenC2= 9312 LenP2D= 29373.</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= 212 RedAO= T EigKep= 1.71D-03 NBF= 212</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 212 1.00D-06 EigRej= -1.00D+00 NBFU= 212</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 11 out of a maximum of 216</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="108">0.00093 0.00243 0.00389 0.00430 0.00621 0.01155 0.01369 0.01419 0.01425 0.01936 0.02187 0.02901 0.02989 0.03268 0.03269 0.03290 0.03572 0.03722 0.03767 0.03784 0.04670 0.04843 0.04917 0.05025 0.05044 0.05376 0.05911 0.07127 0.07560 0.07853 0.08361 0.08498 0.08575 0.08639 0.08735 0.09256 0.09967 0.09989 0.10096 0.10522 0.10537 0.10540 0.11671 0.12389 0.12457 0.12598 0.12949 0.14155 0.14689 0.15176 0.15734 0.15925 0.15998 0.16000 0.16000 0.16004 0.16006 0.16013 0.16167 0.16477 0.17122 0.18292 0.19051 0.19606 0.20926 0.21408 0.23349 0.24001 0.24911 0.25077 0.26658 0.27464 0.28402 0.29141 0.29443 0.29715 0.31386 0.32193 0.32499 0.33437 0.33822 0.33904 0.33948 0.33992 0.34041 0.34079 0.34084 0.34135 0.34159 0.34180 0.34191 0.34192 0.34198 0.34207 0.34289 0.34314 0.34318 0.34369 0.34577 0.35485 0.35940 0.36922 0.38316 0.38399 0.40946 0.42380 0.42446 0.44965</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="3">RFO step: Lambda=-3.16666528D-07.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="3">1 2 3</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="3">0.00215926 0.00000417 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00000261 0.00000149 0.00000149</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="206">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 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</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="206">3.25912 3.25184 3.25164 3.57540 2.86418 2.87852 2.76266 2.75357 2.75468 2.83823 2.87185 2.07822 2.88230 2.07600 2.93006 2.92886 2.92806 2.09825 2.09192 2.10106 2.92795 2.09208 2.09268 2.09277 2.09790 2.93190 2.09857 2.09638 2.09136 2.09450 2.08309 2.09266 2.09297 2.08293 2.09472 2.09835 2.09746 2.09437 2.08288 1.95159 1.95089 1.84338 1.76169 1.97882 1.98122 2.19603 2.18624 2.18656 2.02046 1.96843 2.10852 2.06541 2.02353 2.01742 1.95554 2.11126 2.06047 2.03502 1.90664 1.95543 1.88131 1.93410 1.89004 1.89442 1.97423 1.89577 1.88648 1.93176 1.90361 1.86854 1.97561 1.90346 1.88157 1.91435 1.92221 1.86299 1.96730 1.92071 1.89342 1.90745 1.91055 1.86135 1.99141 1.90812 1.89223 1.91431 1.90631 1.84570 1.97962 1.88107 1.88783 1.93903 1.92132 1.84954 1.86535 1.94103 1.94494 1.90772 1.90906 1.89527 1.86208 1.95022 1.95566 1.90209 1.89721 1.89521 1.95512 1.94923 1.86160 1.89565 1.89838 1.90255 -0.99946 0.96117 3.12371 -1.07098 3.13574 1.01074 1.08788 -3.11833 -0.99502 3.13295 0.97875 -1.01374 0.99022 -1.16399 3.12671 -1.00691 3.12207 1.12959 -3.05421 1.14801 -0.96940 -3.08208 1.12381 -1.00766 0.98526 -1.14567 3.06051 0.00917 -2.70852 2.70035 -0.01733 0.86020 -1.29179 2.96979 -0.35709 -2.50908 1.75250 -3.05853 1.07267 -0.94894 -1.41081 2.73618 0.71972 -0.20467 -2.34086 1.92585 2.51890 0.38271 -1.63375 0.88003 3.01203 -1.21982 3.03004 -1.12116 0.93018 -1.17004 0.96195 3.01330 -1.10957 3.03950 1.00914 3.01099 0.87686 -1.15349 0.93499 -1.19913 3.05370 1.07354 -1.07707 -3.08130 -3.07521 1.05736 -0.94686 -1.00185 3.13072 1.12649 0.75570 2.89727 -1.35325 2.88582 -1.25580 0.77687 -1.35195 0.78962 2.82229 3.04423 -1.11686 0.92641 -1.09170 1.03040 3.07366 0.92365 3.04575 -1.19417</array>
                        <array dataType="xsd:double" dictRef="cc:deriv" size="206">-0.00006 -0.00007 -0.00003 0.00000 0.00013 0.00006 0.00003 -0.00004 -0.00001 0.00003 -0.00008 -0.00003 -0.00005 -0.00002 -0.00001 -0.00003 -0.00003 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 -0.00002 0.00000 -0.00001 -0.00002 -0.00002 -0.00001 0.00000 0.00001 0.00002 -0.00008 -0.00001 0.00004 0.00003 -0.00005 -0.00005 -0.00012 -0.00001 -0.00001 0.00003 -0.00005 0.00003 -0.00004 0.00000 -0.00002 -0.00001 0.00004 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00000 0.00000 0.00002 0.00000 0.00013 -0.00006 -0.00005 -0.00003 -0.00002 0.00002 0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00002 0.00002 -0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00004 0.00003 -0.00002 0.00001 0.00002 0.00008 0.00000 -0.00002 0.00002 0.00001 0.00000 0.00004 -0.00002 -0.00003 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00002 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000</array>
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                        <array dataType="xsd:double" dictRef="cc:delta.quad" size="206">0.00030 0.00003 0.00012 -0.00002 0.00016 0.00002 0.00007 0.00002 0.00006 0.00002 0.00000 0.00004 0.00003 0.00002 -0.00003 -0.00005 0.00004 0.00005 0.00003 0.00001 0.00006 0.00000 0.00002 -0.00001 0.00004 -0.00011 0.00005 0.00000 0.00004 0.00006 0.00000 0.00002 0.00001 0.00000 0.00000 0.00003 0.00005 0.00003 0.00000 -0.00016 -0.00011 -0.00036 0.00011 0.00021 0.00032 0.00012 0.00007 -0.00019 0.00010 -0.00018 0.00021 -0.00009 -0.00005 0.00002 -0.00008 -0.00013 0.00005 0.00007 -0.00002 -0.00003 -0.00001 0.00001 0.00004 0.00001 -0.00001 0.00011 -0.00007 -0.00003 0.00000 0.00000 -0.00019 0.00001 -0.00006 0.00015 0.00002 0.00008 -0.00005 -0.00007 0.00006 -0.00003 0.00007 0.00003 -0.00002 -0.00003 -0.00016 0.00009 0.00014 -0.00003 0.00048 -0.00022 -0.00021 -0.00002 0.00013 -0.00022 -0.00003 0.00001 -0.00003 0.00006 0.00009 -0.00009 0.00002 -0.00004 0.00008 0.00007 -0.00002 -0.00011 0.00011 -0.00004 0.00001 -0.00010 -0.00002 0.00004 -0.00083 -0.00085 -0.00076 0.00040 0.00053 -0.00003 0.00139 0.00121 0.00170 -0.00011 -0.00025 0.00023 0.00021 0.00007 0.00055 -0.00029 -0.00043 0.00005 0.00043 0.00037 0.00051 -0.00001 -0.00009 0.00002 -0.00104 -0.00096 -0.00099 -0.00010 -0.00008 0.00008 0.00010 0.00071 0.00068 0.00066 0.00064 0.00061 0.00059 0.00047 0.00045 0.00043 -0.00065 -0.00072 -0.00079 -0.00060 -0.00068 -0.00074 -0.00063 -0.00070 -0.00076 -0.00047 -0.00036 -0.00038 -0.00049 -0.00039 -0.00040 -0.00050 -0.00039 -0.00041 -0.00035 -0.00023 -0.00025 -0.00030 -0.00018 -0.00021 -0.00035 -0.00022 -0.00025 -0.00001 -0.00010 0.00004 -0.00006 -0.00014 0.00000 0.00001 -0.00008 0.00006 0.00083 0.00068 0.00074 0.00082 0.00068 0.00074 0.00102 0.00087 0.00093 0.00038 0.00042 0.00022 0.00040 0.00044 0.00023 0.00049 0.00053 0.00033</array>
                        <array dataType="xsd:double" dictRef="cc:delta.total" size="206">-0.00024 -0.00013 0.00009 0.00001 0.00056 0.00040 0.00035 -0.00001 0.00019 0.00018 -0.00034 -0.00009 -0.00022 -0.00010 0.00006 -0.00013 -0.00011 0.00001 -0.00002 -0.00001 -0.00011 -0.00005 -0.00005 -0.00005 -0.00003 -0.00007 -0.00003 -0.00005 -0.00005 -0.00004 -0.00004 -0.00010 -0.00010 0.00001 -0.00008 -0.00006 -0.00007 -0.00005 -0.00001 0.00013 -0.00001 -0.00068 0.00004 0.00027 0.00031 -0.00075 -0.00039 -0.00111 0.00000 -0.00042 0.00034 -0.00043 0.00025 -0.00048 -0.00006 -0.00030 -0.00020 0.00058 0.00003 -0.00020 0.00009 0.00019 -0.00007 -0.00004 0.00037 -0.00002 0.00005 -0.00010 -0.00016 -0.00016 -0.00049 0.00049 0.00005 0.00014 -0.00022 0.00006 -0.00048 0.00007 0.00021 0.00004 0.00007 0.00013 -0.00013 0.00003 -0.00005 -0.00006 0.00020 0.00003 0.00076 -0.00047 -0.00026 -0.00020 0.00014 -0.00004 -0.00002 -0.00019 -0.00014 -0.00001 0.00006 0.00030 0.00013 -0.00023 0.00016 -0.00007 -0.00009 0.00009 0.00016 -0.00017 0.00007 0.00012 -0.00007 -0.00013 -0.00218 -0.00207 -0.00215 0.00062 0.00055 0.00003 0.00316 0.00333 0.00383 0.00048 0.00056 0.00098 0.00062 0.00070 0.00112 0.00018 0.00027 0.00068 0.00216 0.00229 0.00214 0.00294 0.00307 0.00300 -0.00381 -0.00396 -0.00375 0.00026 -0.00008 0.00072 0.00038 0.00255 0.00244 0.00262 0.00244 0.00233 0.00251 0.00215 0.00205 0.00222 -0.00305 -0.00325 -0.00361 -0.00322 -0.00343 -0.00378 -0.00306 -0.00327 -0.00363 -0.00211 -0.00195 -0.00230 -0.00197 -0.00182 -0.00217 -0.00209 -0.00193 -0.00228 -0.00093 -0.00069 -0.00101 -0.00083 -0.00059 -0.00091 -0.00085 -0.00061 -0.00093 -0.00163 -0.00148 -0.00151 -0.00159 -0.00144 -0.00147 -0.00159 -0.00144 -0.00146 0.00353 0.00332 0.00354 0.00393 0.00372 0.00394 0.00396 0.00375 0.00396 -0.00050 -0.00072 -0.00080 -0.00061 -0.00082 -0.00090 -0.00050 -0.00071 -0.00079</array>
                        <array dataType="xsd:double" dictRef="cc:newval" size="206">3.25888 3.25171 3.25173 3.57541 2.86474 2.87892 2.76301 2.75356 2.75487 2.83841 2.87152 2.07813 2.88207 2.07591 2.93012 2.92874 2.92795 2.09826 2.09189 2.10105 2.92784 2.09203 2.09264 2.09272 2.09786 2.93183 2.09854 2.09633 2.09131 2.09446 2.08306 2.09255 2.09287 2.08293 2.09463 2.09829 2.09739 2.09432 2.08287 1.95172 1.95088 1.84270 1.76173 1.97910 1.98152 2.19528 2.18585 2.18545 2.02046 1.96801 2.10887 2.06498 2.02378 2.01694 1.95547 2.11096 2.06026 2.03560 1.90667 1.95524 1.88140 1.93429 1.88997 1.89437 1.97460 1.89574 1.88654 1.93166 1.90345 1.86838 1.97512 1.90396 1.88163 1.91449 1.92199 1.86304 1.96681 1.92078 1.89363 1.90749 1.91062 1.86148 1.99127 1.90815 1.89218 1.91425 1.90651 1.84573 1.98038 1.88059 1.88757 1.93883 1.92147 1.84950 1.86532 1.94084 1.94480 1.90771 1.90912 1.89557 1.86220 1.95000 1.95582 1.90201 1.89711 1.89530 1.95528 1.94906 1.86168 1.89577 1.89832 1.90242 -1.00164 0.95910 3.12156 -1.07036 3.13629 1.01078 1.09104 -3.11500 -0.99119 3.13343 0.97931 -1.01276 0.99083 -1.16329 3.12783 -1.00673 3.12234 1.13027 -3.05205 1.15030 -0.96726 -3.07915 1.12688 -1.00466 0.98145 -1.14963 3.05676 0.00943 -2.70860 2.70108 -0.01695 0.86275 -1.28935 2.97241 -0.35466 -2.50675 1.75500 -3.05637 1.07472 -0.94671 -1.41386 2.73293 0.71611 -0.20789 -2.34429 1.92207 2.51584 0.37944 -1.63738 0.87793 3.01008 -1.22212 3.02806 -1.12297 0.92802 -1.17213 0.96002 3.01101 -1.11049 3.03880 1.00814 3.01016 0.87627 -1.15440 0.93415 -1.19974 3.05278 1.07191 -1.07855 -3.08280 -3.07680 1.05592 -0.94833 -1.00344 3.12928 1.12503 0.75924 2.90059 -1.34971 2.88975 -1.25208 0.78081 -1.34799 0.79336 2.82625 3.04373 -1.11758 0.92561 -1.09231 1.02958 3.07276 0.92315 3.04504 -1.19497</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000134 0.000026 0.008191 0.002160</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.002500 0.001667 0.010000 0.006667</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-4.022778e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="39">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="39">1 1 1 1 2 2 3 4 5 6 6 6 7 7 8 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="39">3 4 5 13 6 7 14 15 16 7 9 17 10 18 9 11 12 19 20 21 11 22 23 24 25 13 26 27 28 29 30 31 32 33 34 35 36 37 38</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="39">1.7247 1.7208 1.7207 1.892 1.5157 1.5232 1.4619 1.4571 1.4577 1.5019 1.5197 1.0997 1.5252 1.0986 1.5505 1.5499 1.5495 1.1103 1.107 1.1118 1.5494 1.1071 1.1074 1.1074 1.1102 1.5515 1.1105 1.1094 1.1067 1.1084 1.1023 1.1074 1.1076 1.1022 1.1085 1.1104 1.1099 1.1083 1.1022</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="39">-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="73">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="73">3 3 3 4 4 5 1 1 1 2 2 7 7 9 2 2 6 6 10 9 9 9 11 11 12 6 6 6 8 8 20 7 7 7 11 11 22 8 8 8 10 10 24 8 8 8 13 13 26 1 1 1 12 12 28 3 3 3 30 30 31 4 4 4 33 33 34 5 5 5 36 36 37</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="73">1 1 1 1 1 1 3 4 5 6 6 6 6 6 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="73">4 5 13 5 13 13 14 15 16 9 17 9 17 17 10 18 10 18 18 11 12 19 12 19 19 8 20 21 20 21 21 11 22 23 22 23 23 10 24 25 24 25 25 13 26 27 26 27 27 12 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="73">111.818 111.7779 105.6178 100.9376 113.3782 113.5153 125.8235 125.2623 125.2806 115.7641 112.7827 120.8094 118.3391 115.9397 115.5896 112.044 120.9665 118.056 116.5978 109.2424 112.0382 107.7913 110.8155 108.2916 108.5421 113.1152 108.6195 108.0876 110.6814 109.0687 107.0593 113.1942 109.0603 107.8063 109.6841 110.1345 106.7412 112.7178 110.0485 108.4851 109.2888 109.4666 106.6475 114.0991 109.3275 108.4168 109.6816 109.2235 105.7511 113.4239 107.7772 108.1648 111.0981 110.0837 105.9709 106.8766 111.2127 111.4367 109.3044 109.3813 108.5912 106.6892 111.7395 112.0509 108.9815 108.702 108.5874 112.0202 111.6827 106.662 108.6125 108.7693 109.0082</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="73">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="93">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</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="93">4 5 13 3 5 13 3 4 13 3 3 3 4 4 4 5 5 5 1 1 1 1 1 1 1 1 1 9 9 17 17 2 2 2 7 7 7 17 17 17 2 2 2 6 6 6 18 18 18 11 11 11 12 12 12 19 19 19 9 9 9 12 12 12 19 19 19 9 9 9 11 11 11 19 19 19 7 7 7 22 22 22 23 23 23 8 8 8 26 26 26 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="93">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="93">3 3 3 4 4 4 5 5 5 13 13 13 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="93">14 14 14 15 15 15 16 16 16 12 28 29 12 28 29 12 28 29 30 31 32 33 34 35 36 37 38 10 18 10 18 8 20 21 8 20 21 8 20 21 11 22 23 11 22 23 11 22 23 6 20 21 6 20 21 6 20 21 10 24 25 10 24 25 10 24 25 13 26 27 13 26 27 13 26 27 8 24 25 8 24 25 8 24 25 1 28 29 1 28 29 1 28</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="93">-57.2649 55.0708 178.9754 -61.3627 179.6645 57.9114 62.3309 -178.6673 -57.0104 179.5049 56.078 -58.0828 56.7352 -66.6917 179.1475 -57.6918 178.8814 64.7205 -174.9935 65.776 -55.5425 -176.5904 64.3896 -57.7347 56.4512 -65.642 175.3545 0.5252 -155.1868 154.7189 -0.9931 49.2859 -74.014 170.1564 -20.4599 -143.7597 100.4106 -175.2406 61.4595 -54.3701 -80.8335 156.7718 41.2367 -11.7268 -134.1216 110.3434 144.3226 21.9278 -93.6073 50.4222 172.5763 -69.8905 173.6083 -64.2376 53.2956 -67.0382 55.1159 172.6491 -63.5735 174.1503 57.8196 172.5168 50.2406 -66.09 53.5712 -68.705 174.9643 61.5095 -61.7116 -176.5454 -176.1964 60.5825 -54.2513 -57.402 179.3769 64.5431 43.2987 166.0013 -77.5353 165.3455 -71.9519 44.5115 -77.461 45.2416 161.7051 174.4215 -63.9911 53.0792 -62.5497 59.0377 176.108 52.9211 174.5086</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="93">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.5370"
                                 y3="0.0251"
                                 z3="0.0507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-4.0996"
                                 y3="-0.1415"
                                 z3="-1.4726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.4872"
                                 y3="-0.4401"
                                 z3="-1.2556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.8227"
                                 y3="-1.0195"
                                 z3="1.3352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a5" x3="2.9898" y3="1.5772" z3="0.5095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-3.5239"
                                 y3="-1.1639"
                                 z3="-0.6575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-4.5231"
                                 y3="-0.1886"
                                 z3="-0.0957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-1.6878"
                                 y3="0.3887"
                                 z3="0.1441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.0664"
                                 y3="-1.0127"
                                 z3="-0.3627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.0829"
                                 y3="0.9958"
                                 z3="0.7032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-2.6611"
                                 y3="0.8402"
                                 z3="1.2435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-0.2485"
                                 y3="0.3994"
                                 z3="0.6564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="0.7339"
                                 y3="-0.0047"
                                 z3="-0.4436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="4.8999"
                                 y3="-0.4921"
                                 z3="-1.1139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="2.5456"
                                 y3="-2.4043"
                                 z3="1.1838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="2.8769"
                                 y3="2.6409"
                                 z3="-0.4249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-3.8259"
                                 y3="-2.1853"
                                 z3="-0.8416">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-5.5374"
                                 y3="-0.5052"
                                 z3="0.0994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-1.7647"
                                 y3="1.0995"
                                 z3="-0.6903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-1.5236"
                                 y3="-1.2525"
                                 z3="-1.2829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-1.7900"
                                 y3="-1.7677"
                                 z3="0.3837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-4.7691"
                                 y3="1.1444"
                                 z3="1.5448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-4.1476"
                                 y3="1.8986"
                                 z3="0.0838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-2.3382"
                                 y3="1.7958"
                                 z3="1.6735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.6594"
                                 y3="0.1063"
                                 z3="2.0598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-0.1508"
                                 y3="-0.2747"
                                 z3="1.5179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-0.0039"
                                 y3="1.4059"
                                 z3="1.0207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="0.5345"
                                 y3="-1.0264"
                                 z3="-0.7804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.5981"
                                 y3="0.6473"
                                 z3="-1.3145">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.3254"
                                 y3="-0.8132"
                                 z3="-2.0696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="5.1952"
                                 y3="-1.2199"
                                 z3="-0.3503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="5.3113"
                                 y3="0.4945"
                                 z3="-0.8745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.8444"
                                 y3="-2.9125"
                                 z3="2.1058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.1184"
                                 y3="-2.8395"
                                 z3="0.3575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.4744"
                                 y3="-2.5782"
                                 z3="1.0353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="1.8304"
                                 y3="2.8209"
                                 z3="-0.6937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="3.4718"
                                 y3="2.4492"
                                 z3="-1.3246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="3.2636"
                                 y3="3.5492"
                                 z3="0.0474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a10" order="S"/>
                           <bond atomRefs2="a7 a18" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a10 a22" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a24" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a26" order="S"/>
                           <bond atomRefs2="a12 a27" order="S"/>
                           <bond atomRefs2="a13 a29" order="S"/>
                           <bond atomRefs2="a13 a28" order="S"/>
                           <bond atomRefs2="a14 a31" order="S"/>
                           <bond atomRefs2="a14 a32" order="S"/>
                           <bond atomRefs2="a14 a30" order="S"/>
                           <bond atomRefs2="a15 a34" order="S"/>
                           <bond atomRefs2="a15 a35" order="S"/>
                           <bond atomRefs2="a15 a33" order="S"/>
                           <bond atomRefs2="a16 a37" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 22 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="741">0.000000 6.811216 0.000000 1.680985 7.595774 0.000000 1.680105 7.521493 2.736697 0.000000 1.680637 7.559249 2.726258 2.729937 0.000000 6.216894 1.428678 7.073693 6.653648 7.162668 0.000000 7.064851 1.441327 8.097748 7.529850 7.741317 1.505068 0.000000 4.241446 2.951544 5.424638 4.873023 4.840040 2.534639 2.903395 0.000000 4.737005 2.474827 5.653991 5.175540 5.747475 1.494682 2.604958 1.537565 0.000000 6.722432 2.455165 7.950165 7.221369 7.099199 2.613100 1.494932 2.533312 3.039159 0.000000 5.395128 3.226487 6.759161 5.791283 5.745833 2.893897 2.513748 1.536179 2.523249 1.528938 0.000000 2.875062 4.433530 4.279715 3.450553 3.448968 3.859856 4.379909 1.527793 2.517410 3.880787 2.521831 0.000000 1.869864 4.943711 2.903374 2.925241 2.915457 4.417959 5.271708 2.522853 2.977296 5.051506 3.884094 1.529185 0.000000 2.684602 9.013467 1.420741 3.254382 3.250525 8.462861 9.482709 6.764330 7.025999 9.284740 8.031256 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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.9336760 0.1967177 0.1860412</array>
                  </module>
               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
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                  <module cmlx:templateRef="l601.orbital.closedshell">
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                            delimiter="|"
                            dictRef="cc:occupation"
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                  <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="212">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</array>
                     <array dataType="xsd:string"
                            delimiter="|"
                            dictRef="x:label"
                            size="212">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17  H  1S|2S|18  H  1S|2S|19  H  1S|2S|20  H  1S|2S|21  H  1S|2S|22  H  1S|2S|23  H  1S|2S|24  H  1S|2S|25  H  1S|2S|26  H  1S|2S|27  H  1S|2S|28  H  1S|2S|29  H  1S|2S|30  H  1S|2S|31  H  1S|2S|32  H  1S|2S|33  H  1S|2S|34  H  1S|2S|35  H  1S|2S|36  H  1S|2S|37  H  1S|2S|38  H  1S|2S</array>
                     <matrix cols="1"
                             dataType="xsd:double"
                             dictRef="g:totaloccup"
                             rows="212">0.74952 1.22058 0.89630 1.08410 0.82971 0.07125 1.97816 1.97392 1.97126 0.00849 0.01122 0.01343 0.47805 0.40809 0.36557 0.15915 0.07864 0.11839 1.13257 0.85907 0.96729 0.94524 1.20633 1.14251 1.02837 0.37308 0.33488 0.28328 1.13217 0.85971 0.91553 0.93226 0.99747 1.27873 1.21186 0.23412 0.52647 0.48449 1.13215 0.85974 0.91578 0.93065 1.28353 0.99352 1.21306 0.52495 0.23045 0.47630 1.13215 0.85974 0.91517 0.93075 1.28740 1.03883 1.16483 0.52970 0.26486 0.43956 1.17430 0.81404 0.76013 0.53942 0.90252 0.88469 0.81981 0.04355 0.10760 0.09035 1.17432 0.81409 0.76321 0.51242 0.94944 0.90936 0.74348 0.14490 0.04475 0.02985 1.17429 0.81407 0.72202 0.55952 0.86996 0.87446 0.89071 -0.02492 0.04190 0.04826 1.17422 0.81414 0.72769 0.61786 0.88299 0.89152 0.92680 0.08725 0.12012 0.23505 1.17421 0.81417 0.72697 0.61289 0.89131 0.89356 0.91550 0.11042 0.14624 0.18870 1.17425 0.81418 0.72277 0.63394 0.86679 0.92280 0.88773 0.06802 0.24293 0.15699 1.17426 0.81415 0.72124 0.63864 0.86161 0.92673 0.88556 0.04599 0.20687 0.11330 1.17412 0.81427 0.69481 0.81232 0.92466 0.91739 0.90216 0.25947 0.32360 0.19999 1.17429 0.81438 0.74606 0.65516 0.71018 0.97253 0.97813 0.05262 0.19595 0.21213 1.17429 0.81440 0.74558 0.65674 0.95813 0.72225 0.97972 0.18294 0.06290 0.22609 1.17429 0.81439 0.74551 0.65698 0.96769 0.82497 0.86729 0.19120 0.13215 0.14937 0.52630 0.25006 0.52644 0.24922 0.51937 0.24510 0.51815 0.24728 0.51577 0.28451 0.51834 0.27344 0.51386 0.25522 0.51920 0.26954 0.51891 0.26387 0.51742 0.26671 0.51782 0.25745 0.51447 0.20757 0.51023 0.22597 0.51829 0.25092 0.51860 0.25904 0.51844 0.25776 0.51768 0.24275 0.51879 0.25813 0.52012 0.27100 0.51998 0.26860 0.51883 0.25856 0.51780 0.24415</matrix>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-0.3014 -1.0667 0.4355</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">1.1910</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-104.3153 -93.7224 -115.1152</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.0804 -16.2223 -3.9209</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">0.0690 10.6619 -10.7309 -0.0804 -16.2223 -3.9209</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-31.4140 -0.8697 2.9204 -9.7883 -16.3828 9.6442 -22.0014 -2.3218 -2.1101 -16.5528</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-5822.0069 -977.7141 -645.0239 -1.9599 -288.7461 29.2792 -14.1104 0.5741 0.8501 -1111.3305 -1255.3820 -270.6726 -16.9479 25.6189 -2.2147</array>
                  </list>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.566893"
                                 y3="0.002811"
                                 z3="0.008634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-4.199945"
                                 y3="0.004783"
                                 z3="-1.613124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.502463"
                                 y3="-0.494854"
                                 z3="-1.352053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.9221"
                                 y3="-0.935512"
                                 z3="1.406677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="3.01183"
                                 y3="1.57477"
                                 z3="0.548778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-3.69667"
                                 y3="-1.110387"
                                 z3="-0.718513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-4.62966"
                                 y3="-0.077569"
                                 z3="-0.154066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-1.72524"
                                 y3="0.310862"
                                 z3="0.092221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.212224"
                                 y3="-1.078381"
                                 z3="-0.394564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.112362"
                                 y3="1.03745"
                                 z3="0.74899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-2.656088"
                                 y3="0.809774"
                                 z3="1.226576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-0.250152"
                                 y3="0.276915"
                                 z3="0.565287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="0.760964"
                                 y3="-0.123391"
                                 z3="-0.5413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="4.96222"
                                 y3="-0.54403"
                                 z3="-1.414912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="2.728468"
                                 y3="-2.374835"
                                 z3="1.52528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="2.894233"
                                 y3="2.798712"
                                 z3="-0.234211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-4.108654"
                                 y3="-2.093159"
                                 z3="-0.990311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-5.691122"
                                 y3="-0.341317"
                                 z3="-0.051115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-1.806277"
                                 y3="1.016861"
                                 z3="-0.760932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-1.647752"
                                 y3="-1.398322"
                                 z3="-1.291474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-2.015992"
                                 y3="-1.830971"
                                 z3="0.399963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-4.781743"
                                 y3="1.132543"
                                 z3="1.62564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-4.184992"
                                 y3="1.989159"
                                 z3="0.187464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-2.260559"
                                 y3="1.750849"
                                 z3="1.655966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.648018"
                                 y3="0.058995"
                                 z3="2.044329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-0.156315"
                                 y3="-0.417664"
                                 z3="1.42668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="0.015421"
                                 y3="1.280213"
                                 z3="0.957122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="0.584417"
                                 y3="-1.160072"
                                 z3="-0.88614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.625211"
                                 y3="0.521678"
                                 z3="-1.43232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.2290"
                                 y3="-0.81646"
                                 z3="-2.44919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="5.367814"
                                 y3="-1.304668"
                                 z3="-0.719768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="5.41139"
                                 y3="0.437223"
                                 z3="-1.165789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.993569"
                                 y3="-2.645665"
                                 z3="2.560317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.381665"
                                 y3="-2.935875"
                                 z3="0.827221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.674531"
                                 y3="-2.670456"
                                 z3="1.338708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="1.855719"
                                 y3="2.96886"
                                 z3="-0.587023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="3.569289"
                                 y3="2.788983"
                                 z3="-1.113141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="3.183169"
                                 y3="3.628547"
                                 z3="0.431195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a10" order="S"/>
                           <bond atomRefs2="a7 a18" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a10 a22" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a24" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a26" order="S"/>
                           <bond atomRefs2="a12 a27" order="S"/>
                           <bond atomRefs2="a13 a29" order="S"/>
                           <bond atomRefs2="a13 a28" order="S"/>
                           <bond atomRefs2="a14 a32" order="S"/>
                           <bond atomRefs2="a14 a31" order="S"/>
                           <bond atomRefs2="a14 a30" order="S"/>
                           <bond atomRefs2="a15 a35" order="S"/>
                           <bond atomRefs2="a15 a34" order="S"/>
                           <bond atomRefs2="a15 a33" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a16 a37" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 22 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="741">0.000000 6.958462 0.000000 1.724654 7.723011 0.000000 1.720798 7.792746 2.853347 0.000000 1.720692 7.690799 2.852582 2.654347 0.000000 6.403138 1.515658 7.253122 6.953786 7.336216 0.000000 7.198841 1.523249 8.230476 7.758935 7.849623 1.501927 0.000000 4.303985 3.020935 5.483064 4.987887 4.923997 2.561986 2.940611 0.000000 4.916452 2.570830 5.823653 5.442992 5.934631 1.519720 2.627444 1.550518 0.000000 6.799342 2.579468 8.046608 7.335448 7.147231 2.634306 1.525246 2.580238 3.065123 0.000000 5.423477 3.330977 6.802877 5.847619 5.759334 2.924586 2.566815 1.549888 2.527892 1.549406 0.000000 2.884569 4.518893 4.284150 3.498729 3.510731 3.930806 4.452327 1.549461 2.570576 3.940663 2.551425 0.000000 1.892018 5.076993 2.882902 3.020706 3.022982 4.569034 5.404709 2.602141 3.126241 5.173172 3.958842 1.551495 0.000000 2.839562 9.180727 1.461937 3.503814 3.485601 8.705292 9.685633 6.908286 7.266312 9.462114 8.176115 5.635953 4.311692 0.000000 2.824805 7.969634 3.523129 1.457125 4.078386 6.922126 7.889213 5.394641 5.456833 7.683962 6.262939 4.101895 3.634670 4.121435 0.000000 2.825453 7.748213 3.530876 4.078936 1.457716 7.678255 8.055333 5.256947 6.413537 7.291166 6.074194 4.109236 3.630954 4.104211 5.467072 0.000000 7.067808 2.190340 7.785535 7.517793 8.156212 1.099748 2.243514 3.554132 2.231846 3.581325 3.930847 4.788024 5.272075 9.211995 7.290664 8.575693 0.000000 8.265397 2.187068 9.286443 8.755902 8.931553 2.239358 1.098573 4.021703 3.572667 2.243579 3.488400 5.510563 6.474348 10.742194 8.803960 9.143392 2.540717 0.000000 4.554684 2.734992 5.551345 5.555884 5.024019 2.846150 3.088293 1.110348 2.165423 2.756505 2.171463 2.174374 2.817649 6.976864 6.106905 5.054426 3.876310 4.176183 0.000000 4.627816 2.930162 5.229211 5.327078 5.825591 2.146918 3.453963 2.200438 1.106995 4.021291 3.497571 2.864832 2.826681 6.666092 5.295185 6.273956 2.574789 4.359425 2.477845 0.000000 4.951639 3.491728 5.942064 5.118601 6.074555 2.143574 3.195720 2.183276 1.111833 3.569934 2.840167 2.754761 3.393124 7.324305 4.906325 6.778381 2.526032 3.991130 3.082501 1.784305 0.000000 7.608775 3.478495 8.952271 7.979599 7.880037 3.420990 2.157511 3.516923 3.946117 1.107081 2.186742 4.731994 6.082319 10.344113 8.289454 8.071913 4.207303 2.410548 3.816085 4.973604 4.234865 0.000000 7.040277 2.679569 8.224196 7.781448 7.217791 3.265951 2.141433 2.979283 3.693287 1.107401 2.192772 4.307840 5.427379 9.625806 8.284330 7.137829 4.249506 2.785043 2.739178 4.483287 4.398080 1.777147 0.000000 5.391996 4.182932 6.877774 5.842828 5.390265 3.985880 3.497423 2.192128 3.494502 2.181907 1.107448 2.720992 4.179755 8.177120 6.475240 5.589514 5.019426 4.365781 2.566419 4.356628 3.803524 2.596073 2.432433 0.000000 5.598438 3.973459 7.047736 5.694020 6.047159 3.178116 2.962852 2.173863 2.726121 2.186225 1.110159 2.825741 4.282511 8.381272 5.924487 6.588956 3.996781 3.716398 3.081481 3.775167 2.583673 2.424992 3.088004 1.778573 0.000000 3.098953 5.076398 4.594994 3.121731 3.844170 4.197122 4.756600 2.184733 2.824931 4.269301 2.792044 1.110514 2.191105 5.855767 3.487437 4.733864 4.926471 5.729206 3.092876 3.251836 2.551467 4.882347 4.853729 3.030324 2.610992 0.000000 3.006891 5.099235 4.543414 3.682434 3.038416 4.722536 4.965390 2.172003 3.514601 4.140151 2.725964 1.109356 2.184310 5.781455 4.587244 3.465930 5.672754 6.017519 2.517866 3.872580 3.757198 4.845773 4.328793 2.426925 3.125269 1.769961 0.000000 2.466400 4.977501 3.028957 3.282103 3.928191 4.284656 5.375347 2.907810 2.840691 5.437140 4.341053 2.206372 1.106703 4.452445 3.447833 4.629496 4.786066 6.383574 3.235759 2.281149 2.977633 6.353015 5.815285 4.798922 4.530167 2.539486 3.110685 0.000000 2.472994 4.856130 3.052599 3.931794 3.275622 4.674593 5.441204 2.809500 3.418796 5.241063 4.233161 2.194676 1.108359 4.466059 4.643369 3.430569 5.426069 6.522925 2.570623 2.978691 3.983488 6.241749 5.283488 4.401822 4.797415 3.109184 2.580049 1.768689 0.000000 3.714690 9.501497 2.070765 4.494849 4.429632 9.096660 10.149223 7.489398 7.724112 10.046213 8.850452 6.348516 4.907518 1.102325 4.947485 4.840117 9.536775 11.190424 7.463673 6.997756 7.850912 10.982615 10.170874 8.918344 9.110738 6.647031 6.571179 4.912570 4.900970 0.000000 3.175726 9.698184 2.129582 3.261834 3.930781 9.066566 10.088374 7.319883 7.590385 9.875045 8.523035 5.976146 4.759237 1.107385 3.626520 4.815818 9.513063 11.120936 7.540477 7.039445 7.486748 10.698339 10.145367 8.554085 8.587979 5.992497 6.175895 4.788473 5.131818 1.802364 0.000000 3.107917 9.631452 2.132478 3.833868 3.160956 9.249428 10.105013 7.247762 7.810975 9.732857 8.422969 5.922448 4.725541 1.107553 4.727324 3.574989 9.852151 11.185454 7.252214 7.294965 7.922266 10.591294 9.814802 8.279294 8.683431 6.200892 5.859510 5.092074 4.794338 1.803359 1.798616 0.000000 3.702373 8.728638 4.493506 2.064126 4.675328 7.607043 8.489795 6.090954 6.187728 8.206126 6.755557 4.800349 4.578910 4.908656 1.102238 6.120498 7.959510 9.357000 6.890814 6.159060 5.516027 8.695054 8.868132 6.910358 6.277654 4.021305 5.181903 4.459716 5.619816 5.782586 4.265474 5.406840 0.000000 3.157502 8.490204 3.274509 2.132703 4.534339 7.471581 8.562370 6.096065 6.019521 8.482563 7.116448 4.855999 4.080562 3.639538 1.108476 5.852326 7.753611 9.477271 6.712757 5.669918 5.526126 9.155913 9.050942 7.381524 6.841614 4.383839 5.396654 3.730104 4.965706 4.317341 2.999800 4.412444 1.799573 0.000000 3.116371 7.097865 3.913410 2.138009 4.520432 5.959511 6.978128 4.690462 4.543765 6.898150 5.556873 3.604106 3.294932 4.786754 1.110398 5.820099 6.261217 7.849162 5.488244 4.424223 3.899479 7.498574 7.574390 5.927354 5.160643 2.904274 4.301865 2.901648 4.355387 5.515408 4.443315 5.467567 1.798000 1.801770 0.000000 3.107736 6.819802 3.910800 4.511777 2.137785 6.891050 7.178323 4.511052 5.741547 6.413522 5.320451 3.606811 3.280640 4.761948 5.811936 1.109927 7.833290 8.258285 4.153403 5.642946 6.245212 7.233522 6.168454 4.843376 5.972853 4.424005 2.936428 4.330561 2.866596 5.401420 5.533126 4.403062 6.536310 6.260551 5.961808 0.000000 3.166375 8.268177 3.293194 4.543149 2.132381 8.255603 8.738405 5.968754 6.992764 8.095874 6.938794 4.869881 4.086027 3.624955 5.859459 1.108293 9.099517 9.832695 5.671083 6.691998 7.404649 8.943403 7.903174 6.537033 7.488482 5.532937 4.380908 4.955404 3.729630 4.187945 4.488587 2.987789 6.584918 6.047661 6.277512 1.801521 0.000000 3.701934 8.474743 4.503815 4.674436 2.064263 8.432763 8.667071 5.934173 7.207448 7.748519 6.532613 4.799907 4.570543 4.897299 6.119181 1.102214 9.377061 9.733728 5.756443 7.181559 7.539137 8.431877 7.552270 5.887273 7.024717 5.339940 3.978177 5.605332 4.434914 5.678039 5.516702 4.207122 6.628337 6.579352 6.540413 1.798354 1.799703 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.8556890 0.1864110 0.1788122</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= 207 207 207 207 207 MxSgAt= 38 MxSgA2= 38.</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</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= 10440 NPrTT= 51122 LenC2= 9231 LenP2D= 28927.</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= 212 RedAO= T EigKep= 2.01D-03 NBF= 212</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 212 1.00D-06 EigRej= -1.00D+00 NBFU= 212</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= 207 207 207 207 207 MxSgAt= 38 MxSgA2= 38.</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">-1021.24140326844</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.34005674442</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.098653475984</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.63565958906</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.295602844641</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.64415265443</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.008493065368</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65290784665</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.008755192218</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65331337091</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000405524259</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65334036095</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000026990041</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65334364011</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000003279158</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330799007</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000035650030</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330817367</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000183600</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330816248</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000011190</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330823622</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000073732</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330823706</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000839</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330823713</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000075</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65330823715</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000017</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">-1021.65330824</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">15</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.018400533567e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-5.051129522179e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.685907283236e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Two-electron integral symmetry not used.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Keep J ints in memory in canonical form, NReq=259882025.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      156002 IEndB=      156002 NGot=   402653184 MDV=   147602852</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   147602852 LenY=   147557467</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NMat0=    1 NMatS0=  22578 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral accuracy reduced to 1.0D-05 until final iterations.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l716.dipole">
                  <array cmlx:templateRef="dipole"
                         dataType="xsd:double"
                         dictRef="x:d"
                         size="3">-1.18599176e-01 -4.19690387e-01 1.71331119e-01</array>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="38">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="38">14 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.024806240 0.005429532 -0.002156871</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.013810410 0.019978262 -0.062978203</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.012651934 -0.005884531 -0.018491796</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009570781 0.013081406 0.019047051</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009386533 -0.000972901 0.024585435</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010046119 -0.014149537 0.028004084</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002870417 -0.001275157 0.024172767</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000001523 -0.001223277 0.006964490</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001413101 0.002459145 -0.000151554</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001072875 0.006135955 0.014137325</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000945820 0.001551070 -0.002423986</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003147177 0.001930805 -0.001885296</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009643899 -0.003308275 -0.002989360</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.019842698 -0.004124244 -0.008881889</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001082603 -0.016354292 0.007383626</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003143998 0.017340177 -0.003236661</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008627983 -0.011071068 -0.006169042</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.012436476 -0.007169846 -0.004161474</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000890467 0.003916120 -0.005986217</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005491236 -0.001751834 -0.005888910</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003263792 -0.004977027 0.006539086</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005088908 0.001463003 0.005277093</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001291085 0.004287824 -0.005286579</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003970373 0.005562391 0.002734506</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000951275 -0.005431654 0.005214978</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000094477 -0.004124494 0.006132289</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001871575 0.006043550 0.002980367</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003419911 -0.006451045 -0.004196522</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001104733 0.003190625 -0.006587103</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002299054 -0.001894499 -0.005687878</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004508117 -0.003084586 0.007289384</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005036044 0.006074803 0.004514066</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001367280 -0.002443919 0.005276667</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001775495 -0.005291251 -0.007719561</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008808983 -0.004428965 -0.003406081</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008100575 0.002544666 -0.005698306</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002162391 -0.000498455 -0.009301323</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001822931 0.004921524 0.003031396</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.062978203</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.010296846</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">0</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67645980543</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67689890124</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000439095805</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67689763128</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000001269959</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67690009937</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000002468094</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699000348</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000089904109</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699043298</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000429498</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699043196</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001015</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699063510</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000203133</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699064829</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000013194</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699064857</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000281</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699064873</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000159</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67699064869</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000043</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1021.67699065</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">12</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.017026109887e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-4.982293804321e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.652585649532e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Two-electron integral symmetry not used.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Keep J ints in memory in canonical form, NReq=259882025.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      156002 IEndB=      156002 NGot=   402653184 MDV=   147602852</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   147602852 LenY=   147557467</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NMat0=    1 NMatS0=  22578 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral accuracy reduced to 1.0D-05 until final iterations.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l716">
                  <list cmlx:templateRef="l716">
                     <scalar dataType="xsd:string" dictRef="g:l716">(Enter /mnt/data/applications/G09/g09/l716.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l601.kinetic">
                  <module>
                     <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                     <array dataType="xsd:integer" dictRef="x:serial" size="212">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</array>
                     <array dataType="xsd:string" dictRef="x:label" size="212">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</array>
                     <array dataType="xsd:double" dictRef="g:orbitalener" size="212">-65.518528 -18.758044 -18.751683 -18.749181 -18.749100 -9.948242 -9.947294 -9.942534 -9.941752 -9.938517 -9.901564 -9.900425 -9.899794 -9.899284 -9.894960 -9.891283 -5.133784 -3.545787 -3.545027 -3.542419 -0.947196 -0.919749 -0.897124 -0.895454 -0.749079 -0.696514 -0.672402 -0.635956 -0.624482 -0.612696 -0.607844 -0.568808 -0.552559 -0.523421 -0.481923 -0.476376 -0.453389 -0.427861 -0.425597 -0.412269 -0.402621 -0.399671 -0.393595 -0.392932 -0.386721 -0.382857 -0.381274 -0.377797 -0.369485 -0.364669 -0.354085 -0.338370 -0.333098 -0.321868 -0.309215 -0.301279 -0.281839 -0.278571 -0.274012 -0.270362 -0.260511 -0.247410 -0.231301 -0.228159 -0.225437 -0.217765 -0.202625 0.009230 0.040613 0.042405 0.048476 0.048971 0.064818 0.087252 0.091370 0.095541 0.099918 0.103473 0.113388 0.114914 0.122418 0.128036 0.134790 0.140025 0.145063 0.148667 0.151966 0.157689 0.163421 0.166872 0.167932 0.170088 0.172931 0.175511 0.184424 0.186508 0.193525 0.203128 0.206637 0.212177 0.217415 0.224505 0.234116 0.242497 0.253457 0.256220 0.262037 0.274581 0.278446 0.280485 0.292110 0.299446 0.303387 0.313086 0.315181 0.321313 0.330150 0.337732 0.344571 0.347354 0.356508 0.363353 0.366816 0.378898 0.391700 0.405546 0.412835 0.426479 0.433325 0.447774 0.454981 0.471374 0.475885 0.488518 0.498705 0.512137 0.525560 0.547324 0.567009 0.589837 0.624833 0.646643 0.671828 0.712416 0.731364 0.742826 0.778032 0.787859 0.803355 0.811285 0.822838 0.838023 0.850915 0.862631 0.870275 0.879966 0.903326 0.933430 0.937025 0.963936 0.971081 0.977223 1.002185 1.005420 1.023321 1.043109 1.045845 1.058403 1.060127 1.072064 1.075477 1.083922 1.095469 1.119346 1.127580 1.141924 1.154557 1.163868 1.180047 1.190315 1.210721 1.227470 1.242697 1.264975 1.296528 1.393626 1.414568 1.503327 1.584810 1.609886 1.638496 1.722569 4.948680 5.022304 5.028155 5.577364 22.412658 22.489877 22.516167 22.517323 22.555066 22.573436 22.614641 22.642479 22.673827 22.677539 22.699670 41.497865 41.499712 41.504561 41.561301 142.925995</array>
                     <array dataType="xsd:double" dictRef="g:kineticener" size="212">92.156673 29.118455 29.118832 29.118713 29.118725 15.957646 15.957854 15.960295 15.960251 15.960154 15.958637 15.957201 15.956533 15.958005 15.957699 15.956076 13.064905 12.100060 12.098828 12.102987 2.276548 2.531724 2.637181 2.664755 1.377650 1.421028 1.469015 1.653585 1.654513 1.668673 1.679556 1.539441 1.531251 1.413117 1.237362 1.745167 1.063367 1.735239 1.413662 1.195339 1.303177 1.079803 1.182529 1.164417 1.157911 1.182169 1.194510 1.117690 1.600148 1.240394 1.266908 1.255119 1.218037 1.374727 1.538982 1.363878 1.507571 1.665504 1.430041 1.608423 2.001287 1.644832 2.139489 2.168882 2.103884 2.264451 2.291589 2.200978 1.940631 1.988652 1.868539 1.697512 1.303425 1.315535 1.222284 1.626333 1.191202 1.170569 1.221091 1.276751 1.384969 1.290479 1.202107 1.777957 1.178244 1.296780 1.191409 1.177322 1.321628 1.180437 1.277108 1.312534 1.286463 1.203510 1.319882 1.364890 1.363816 1.381796 1.323531 1.441772 1.521605 1.180705 1.321600 1.565483 1.491264 1.252313 1.504289 1.452047 1.639709 1.476183 1.496923 1.488854 1.729214 1.835338 1.639651 1.858288 1.943841 1.861493 1.928237 1.778139 1.657130 1.681267 1.812609 1.768113 2.281368 2.000004 1.847072 1.904215 2.440866 2.530519 1.909491 2.155487 2.153429 2.424340 2.486536 2.182863 2.398643 1.945864 1.814665 1.966102 2.082430 2.047597 2.314066 2.171621 2.572936 2.334994 2.538680 2.588226 2.798189 2.748531 2.815699 2.749806 2.703820 2.722379 2.912346 2.961475 3.069316 2.991567 2.969452 3.027041 2.974198 2.917054 3.059507 2.706992 2.749017 2.598813 2.675216 2.756631 2.723073 2.719484 2.607186 2.726753 2.658153 2.696555 2.640083 2.719401 2.813230 2.778718 2.643875 2.824976 2.992324 2.854495 2.795561 2.786692 2.768853 2.812393 2.832173 3.116897 4.848147 4.988532 5.165950 5.284181 9.668971 9.698396 9.715910 22.178493 57.420068 57.390531 57.389491 57.389478 57.414560 57.404070 57.407287 57.392514 57.387690 57.382096 57.371898 105.849161 105.850187 105.848559 105.844238 369.892419</array>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:totalkineticener">1.017026109887D+03</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT2980.600S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-04-25T03:21:44.000+02:00</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="38">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="38">Si O O O O C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="38">1.584158 -0.272609 -0.572810 -0.560129 -0.562979 -0.136419 -0.085820 0.029712 -0.477638 -0.473974 -0.490390 -0.388340 -1.022809 -0.511437 -0.523032 -0.523838 0.223647 0.224339 0.235527 0.234572 0.199711 0.208221 0.230914 0.211260 0.217222 0.215872 0.224732 0.277963 0.263802 0.230791 0.222357 0.223807 0.239563 0.223078 0.208881 0.211423 0.222613 0.238056</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="62">-9.94824 -9.94729 -9.94253 -9.94175 -9.93852 -9.90156 -9.90042 -9.89979 -9.89928 -9.89496 -9.89128 -5.13378 -3.54579 -3.54503 -3.54242 -0.94720 -0.91975 -0.89712 -0.89545 -0.74908 -0.69651 -0.67240 -0.63596 -0.62448 -0.61270 -0.60784 -0.56881 -0.55256 -0.52342 -0.48192 -0.47638 -0.45339 -0.42786 -0.42560 -0.41227 -0.40262 -0.39967 -0.39360 -0.39293 -0.38672 -0.38286 -0.38127 -0.37780 -0.36948 -0.36467 -0.35408 -0.33837 -0.33310 -0.32187 -0.30921 -0.30128 -0.28184 -0.27857 -0.27401 -0.27036 -0.26051 -0.24741 -0.23130 -0.22816 -0.22544 -0.21776 -0.20262</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="145">0.00923 0.04061 0.04241 0.04848 0.04897 0.06482 0.08725 0.09137 0.09554 0.09992 0.10347 0.11339 0.11491 0.12242 0.12804 0.13479 0.14003 0.14506 0.14867 0.15197 0.15769 0.16342 0.16687 0.16793 0.17009 0.17293 0.17551 0.18442 0.18651 0.19352 0.20313 0.20664 0.21218 0.21742 0.22451 0.23412 0.24250 0.25346 0.25622 0.26204 0.27458 0.27845 0.28049 0.29211 0.29945 0.30339 0.31309 0.31518 0.32131 0.33015 0.33773 0.34457 0.34735 0.35651 0.36335 0.36682 0.37890 0.39170 0.40555 0.41283 0.42648 0.43332 0.44777 0.45498 0.47137 0.47588 0.48852 0.49871 0.51214 0.52556 0.54732 0.56701 0.58984 0.62483 0.64664 0.67183 0.71242 0.73136 0.74283 0.77803 0.78786 0.80336 0.81128 0.82284 0.83802 0.85091 0.86263 0.87028 0.87997 0.90333 0.93343 0.93703 0.96394 0.97108 0.97722 1.00219 1.00542 1.02332 1.04311 1.04585 1.05840 1.06013 1.07206 1.07548 1.08392 1.09547 1.11935 1.12758 1.14192 1.15456 1.16387 1.18005 1.19032 1.21072 1.22747 1.24270 1.26497 1.29653 1.39363 1.41457 1.50333 1.58481 1.60989 1.63850 1.72257 4.94868 5.02230 5.02816 5.57736 22.41266 22.48988 22.51617 22.51732 22.55507 22.57344 22.61464 22.64248 22.67383 22.67754 22.69967 41.49786 41.49971 41.50456 41.56130 142.92599</array>
                     <module cmlx:templateRef="l601.orbital.closedshell">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="212">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:occupation"
                               size="212">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</array>
                        <array dataType="xsd:double" dictRef="cc:eigenvalues" size="212">-65.51853 -18.75804 -18.75168 -18.74918 -18.74910 -9.94824 -9.94729 -9.94253 -9.94175 -9.93852 -9.90156 -9.90042 -9.89979 -9.89928 -9.89496 -9.89128 -5.13378 -3.54579 -3.54503 -3.54242 -0.94720 -0.91975 -0.89712 -0.89545 -0.74908 -0.69651 -0.67240 -0.63596 -0.62448 -0.61270 -0.60784 -0.56881 -0.55256 -0.52342 -0.48192 -0.47638 -0.45339 -0.42786 -0.42560 -0.41227 -0.40262 -0.39967 -0.39360 -0.39293 -0.38672 -0.38286 -0.38127 -0.37780 -0.36948 -0.36467 -0.35408 -0.33837 -0.33310 -0.32187 -0.30921 -0.30128 -0.28184 -0.27857 -0.27401 -0.27036 -0.26051 -0.24741 -0.23130 -0.22816 -0.22544 -0.21776 -0.20262 0.00923 0.04061 0.04241 0.04848 0.04897 0.06482 0.08725 0.09137 0.09554 0.09992 0.10347 0.11339 0.11491 0.12242 0.12804 0.13479 0.14003 0.14506 0.14867 0.15197 0.15769 0.16342 0.16687 0.16793 0.17009 0.17293 0.17551 0.18442 0.18651 0.19352 0.20313 0.20664 0.21218 0.21742 0.22451 0.23412 0.24250 0.25346 0.25622 0.26204 0.27458 0.27845 0.28049 0.29211 0.29945 0.30339 0.31309 0.31518 0.32131 0.33015 0.33773 0.34457 0.34735 0.35651 0.36335 0.36682 0.37890 0.39170 0.40555 0.41283 0.42648 0.43332 0.44777 0.45498 0.47137 0.47588 0.48852 0.49871 0.51214 0.52556 0.54732 0.56701 0.58984 0.62483 0.64664 0.67183 0.71242 0.73136 0.74283 0.77803 0.78786 0.80336 0.81128 0.82284 0.83802 0.85091 0.86263 0.87028 0.87997 0.90333 0.93343 0.93703 0.96394 0.97108 0.97722 1.00219 1.00542 1.02332 1.04311 1.04585 1.05840 1.06013 1.07206 1.07548 1.08392 1.09547 1.11935 1.12758 1.14192 1.15456 1.16387 1.18005 1.19032 1.21072 1.22747 1.24270 1.26497 1.29653 1.39363 1.41457 1.50333 1.58481 1.60989 1.63850 1.72257 4.94868 5.02230 5.02816 5.57736 22.41266 22.48988 22.51617 22.51732 22.55507 22.57344 22.61464 22.64248 22.67383 22.67754 22.69967 41.49786 41.49971 41.50456 41.56130 142.92599</array>
                        <matrix cols="212"
                                dataType="xsd:double"
                                dictRef="g:orbitalcoeff"
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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>
                           <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>
                        </list>
                     </module>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                     <module cmlx:templateRef="l601.grossorbpop">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="212">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</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="x:label"
                               size="212">1   Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5   O  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9   C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16  C  1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17  H  1S|2S|18  H  1S|2S|19  H  1S|2S|20  H  1S|2S|21  H  1S|2S|22  H  1S|2S|23  H  1S|2S|24  H  1S|2S|25  H  1S|2S|26  H  1S|2S|27  H  1S|2S|28  H  1S|2S|29  H  1S|2S|30  H  1S|2S|31  H  1S|2S|32  H  1S|2S|33  H  1S|2S|34  H  1S|2S|35  H  1S|2S|36  H  1S|2S|37  H  1S|2S|38  H  1S|2S</array>
                        <matrix cols="1"
                                dataType="xsd:double"
                                dictRef="g:totaloccup"
                                rows="212">0.74953 1.22059 0.89632 1.08463 0.82671 0.11339 1.97686 1.97219 1.97054 0.00929 0.01217 0.01343 0.46099 0.38772 0.36477 0.17493 0.10349 0.11536 1.13274 0.85895 0.97615 0.96642 1.22509 1.10629 0.97340 0.41749 0.35307 0.30623 1.13226 0.85967 0.91994 0.93612 0.98979 1.26807 1.19164 0.26899 0.53655 0.48861 1.13224 0.85968 0.92049 0.93522 1.27939 0.99042 1.18407 0.53719 0.26608 0.47105 1.13224 0.85968 0.92050 0.93510 1.27896 0.99667 1.17821 0.53800 0.26151 0.47532 1.17444 0.81404 0.75923 0.56860 0.90299 0.85702 0.79454 0.04460 0.09358 0.09841 1.17445 0.81408 0.76122 0.54722 0.94105 0.88733 0.72266 0.13450 0.04695 0.04706 1.17433 0.81410 0.72083 0.57673 0.85871 0.86779 0.88646 -0.02104 0.05702 0.04872 1.17427 0.81417 0.72600 0.63551 0.86724 0.88660 0.91995 0.08521 0.12558 0.22654 1.17427 0.81421 0.72516 0.63271 0.87975 0.89049 0.90158 0.10501 0.15414 0.17368 1.17430 0.81420 0.72159 0.64587 0.85801 0.91586 0.88155 0.07265 0.22803 0.15704 1.17431 0.81417 0.71909 0.65784 0.85222 0.91973 0.87720 0.05160 0.18509 0.11667 1.17419 0.81430 0.69511 0.81868 0.90430 0.91239 0.89521 0.24331 0.32062 0.19796 1.17437 0.81442 0.74680 0.66260 0.69057 0.96178 0.96896 0.05442 0.19594 0.20664 1.17437 0.81443 0.74537 0.66502 0.95160 0.70146 0.96916 0.18802 0.05947 0.22167 1.17437 0.81443 0.74540 0.66578 0.95571 0.76776 0.89898 0.19092 0.10426 0.17425 0.51742 0.26387 0.51789 0.26451 0.51346 0.26008 0.51294 0.25571 0.50914 0.29939 0.51260 0.28250 0.50916 0.26212 0.51444 0.27834 0.51392 0.27808 0.51237 0.28218 0.51304 0.27073 0.50744 0.22376 0.50472 0.23479 0.51405 0.25828 0.51364 0.26905 0.51332 0.26836 0.51382 0.24890 0.51361 0.27024 0.51392 0.28341 0.51388 0.28031 0.51368 0.26990 0.51379 0.24917</matrix>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="38">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="38">Si O O O O C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="38">1.547096 -0.315838 -0.591631 -0.575838 -0.576190 -0.107461 -0.076518 0.016339 -0.461070 -0.451003 -0.469072 -0.367923 -0.976053 -0.476495 -0.490584 -0.491853 0.218712 0.217597 0.226462 0.231354 0.191475 0.204905 0.228716 0.207219 0.207999 0.205450 0.216223 0.268797 0.260491 0.227672 0.217315 0.218320 0.237284 0.216150 0.202672 0.205810 0.216426 0.237043</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">-5.87718892e-02 -4.45422244e-01 2.99169933e-01</array>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-0.1494 -1.1322 0.7604</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">1.3720</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-103.3790 -92.5951 -114.8598</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.5978 -18.0968 -3.9577</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">0.2323 11.0162 -11.2485 0.5978 -18.0968 -3.9577</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-26.1090 3.6250 10.8330 -4.6435 -22.2656 11.0496 -13.0548 -6.3337 3.0029 -20.6743</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-6027.9466 -997.2408 -745.7555 19.9829 -376.1609 58.8983 -9.2877 -36.6763 -3.9310 -1141.0760 -1313.7436 -286.9619 -8.1892 28.9308 -0.7816</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">-1021.6769906</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">6.519E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">4.388E-5</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">0.1727245,8.1902438,-8.3629683,0.4444563,-13.4545437,-2.9424815</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C11H22O4Si1)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-0.0587719 -0.4454222 0.2991699</array>
                  <array dataType="xsd:double" dictRef="cc:forceConstants" size="1">@</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="2.5668926"
                        y3="0.00281126"
                        z3="0.00863388">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">0.000038683 0.000010923 0.000035663</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">-0.000026488 0.000103103 -0.000141338</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">-0.000109825 -0.000044404 0.000023125</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">-0.000047659 0.000012024 -0.000024690</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">0.000120337 -0.000020545 0.000003640</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">0.000189671 -0.000155549 0.000125331</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">-0.000085343 0.000014990 0.000120522</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000002587 0.000033033 0.000016798</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">-0.000076558 -0.000003875 -0.000021157</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">-0.000020007 -0.000027127 -0.000064295</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000016042 -0.000024113 0.000004635</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000017387 -0.000026055 -0.000053043</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">-0.000036159 0.000046265 0.000043205</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">0.000072342 0.000036530 0.000024575</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">0.000021207 0.000041558 -0.000028562</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000085106 -0.000025323 -0.000033189</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">-0.000027409 0.000030396 0.000009639</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000026527 -0.000029993 -0.000008160</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">0.000001592 -0.000007399 -0.000000107</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">0.000001871 0.000000467 0.000010607</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">0.000018089 -0.000000985 -0.000004897</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">0.000005076 0.000026431 -0.000011359</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">0.000015633 -0.000022084 -0.000013813</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">-0.000011899 -0.000008341 -0.000009613</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">-0.000003490 0.000004632 -0.000010771</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">-0.000001599 0.000009423 -0.000000302</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">-0.000015420 -0.000004682 -0.000009399</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">0.000028547 -0.000002106 0.000012521</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">0.000022154 -0.000016556 -0.000010087</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">0.000000086 -0.000004458 0.000012327</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.30" size="3">-0.000012181 0.000009879 -0.000008865</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.31" size="3">-0.000023544 -0.000008751 -0.000013380</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.32" size="3">0.000003413 0.000004056 0.000007328</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.33" size="3">-0.000000582 0.000018644 0.000022777</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.34" size="3">0.000016848 0.000013551 0.000024197</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.35" size="3">0.000008691 0.000001892 -0.000004167</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.36" size="3">-0.000000083 0.000003074 0.000001310</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.37" size="3">-0.000008654 0.000011475 -0.000027007</array>
                     </property>
                  </atom>
                  <atom elementType="O"
                        id="a2"
                        x3="-4.19994504"
                        y3="0.00478294"
                        z3="-1.61312443"/>
                  <atom elementType="O"
                        id="a3"
                        x3="3.50246343"
                        y3="-0.49485387"
                        z3="-1.35205264"/>
                  <atom elementType="O"
                        id="a4"
                        x3="2.92210036"
                        y3="-0.93551182"
                        z3="1.40667699"/>
                  <atom elementType="O"
                        id="a5"
                        x3="3.01183008"
                        y3="1.57476996"
                        z3="0.54877838"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-3.69667009"
                        y3="-1.11038688"
                        z3="-0.71851284"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-4.62966025"
                        y3="-0.07756903"
                        z3="-0.1540659"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-1.7252404"
                        y3="0.31086229"
                        z3="0.09222069"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.21222386"
                        y3="-1.07838055"
                        z3="-0.39456355"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.11236241"
                        y3="1.03744993"
                        z3="0.74899002"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-2.6560879"
                        y3="0.8097742"
                        z3="1.22657637"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-0.25015241"
                        y3="0.27691481"
                        z3="0.56528711"/>
                  <atom elementType="C"
                        id="a13"
                        x3="0.76096415"
                        y3="-0.12339137"
                        z3="-0.54130008"/>
                  <atom elementType="C"
                        id="a14"
                        x3="4.96222007"
                        y3="-0.54403034"
                        z3="-1.41491212"/>
                  <atom elementType="C"
                        id="a15"
                        x3="2.72846795"
                        y3="-2.37483526"
                        z3="1.52527978"/>
                  <atom elementType="C"
                        id="a16"
                        x3="2.89423295"
                        y3="2.79871172"
                        z3="-0.23421136"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-4.10865445"
                        y3="-2.09315883"
                        z3="-0.9903106"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-5.69112177"
                        y3="-0.34131684"
                        z3="-0.05111541"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.80627733"
                        y3="1.01686139"
                        z3="-0.76093224"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-1.64775214"
                        y3="-1.39832195"
                        z3="-1.29147379"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-2.01599222"
                        y3="-1.8309715"
                        z3="0.39996325"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-4.78174328"
                        y3="1.13254344"
                        z3="1.62563994"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-4.18499153"
                        y3="1.98915883"
                        z3="0.18746381"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-2.26055872"
                        y3="1.75084896"
                        z3="1.65596588"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.64801839"
                        y3="0.05899498"
                        z3="2.04432879"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-0.15631473"
                        y3="-0.41766364"
                        z3="1.42667967"/>
                  <atom elementType="H"
                        id="a27"
                        x3="0.01542135"
                        y3="1.28021311"
                        z3="0.9571219"/>
                  <atom elementType="H"
                        id="a28"
                        x3="0.58441729"
                        y3="-1.16007213"
                        z3="-0.88614031"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.62521114"
                        y3="0.52167847"
                        z3="-1.43231997"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.22900005"
                        y3="-0.81645969"
                        z3="-2.44918993"/>
                  <atom elementType="H"
                        id="a31"
                        x3="5.36781433"
                        y3="-1.30466842"
                        z3="-0.71976804"/>
                  <atom elementType="H"
                        id="a32"
                        x3="5.41138997"
                        y3="0.43722289"
                        z3="-1.16578922"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.99356892"
                        y3="-2.64566539"
                        z3="2.56031666"/>
                  <atom elementType="H"
                        id="a34"
                        x3="3.38166514"
                        y3="-2.93587531"
                        z3="0.82722057"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.67453082"
                        y3="-2.67045633"
                        z3="1.33870811"/>
                  <atom elementType="H"
                        id="a36"
                        x3="1.85571889"
                        y3="2.96886021"
                        z3="-0.58702279"/>
                  <atom elementType="H"
                        id="a37"
                        x3="3.56928892"
                        y3="2.78898293"
                        z3="-1.11314129"/>
                  <atom elementType="H"
                        id="a38"
                        x3="3.18316851"
                        y3="3.62854681"
                        z3="0.43119472"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a29" order="S"/>
                  <bond atomRefs2="a13 a28" order="S"/>
                  <bond atomRefs2="a14 a32" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a30" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a34" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-KIMIK2064</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">CBGUSER</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">000018819</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">25-Apr-2017</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:degfreedom">
                  <scalar cmlx:templateRef="degfreedom" dataType="xsd:integer">108</scalar>
               </parameter>
               <parameter dictRef="cc:frameworkgroup">
                  <scalar cmlx:templateRef="framework" dataType="xsd:string">C1[X(C11H22O4Si)]</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RPBEPBE</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">SDD</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq=noraman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">PBEPBE/SDD</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Si"
                        id="a1"
                        x3="2.56689"
                        y3="0.00281"
                        z3="0.00863"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-4.19995"
                        y3="0.00478"
                        z3="-1.61312"/>
                  <atom elementType="O"
                        id="a3"
                        x3="3.50246"
                        y3="-0.49485"
                        z3="-1.35205"/>
                  <atom elementType="O"
                        id="a4"
                        x3="2.9221"
                        y3="-0.93551"
                        z3="1.40668"/>
                  <atom elementType="O"
                        id="a5"
                        x3="3.01183"
                        y3="1.57477"
                        z3="0.54878"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-3.69667"
                        y3="-1.11039"
                        z3="-0.71851"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-4.62966"
                        y3="-0.07757"
                        z3="-0.15407"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-1.72524"
                        y3="0.31086"
                        z3="0.09222"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-2.21222"
                        y3="-1.07838"
                        z3="-0.39456"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-4.11236"
                        y3="1.03745"
                        z3="0.74899"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-2.65609"
                        y3="0.80977"
                        z3="1.22658"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-0.25015"
                        y3="0.27692"
                        z3="0.56529"/>
                  <atom elementType="C"
                        id="a13"
                        x3="0.76096"
                        y3="-0.12339"
                        z3="-0.5413"/>
                  <atom elementType="C"
                        id="a14"
                        x3="4.96222"
                        y3="-0.54403"
                        z3="-1.41491"/>
                  <atom elementType="C"
                        id="a15"
                        x3="2.72847"
                        y3="-2.37484"
                        z3="1.52528"/>
                  <atom elementType="C"
                        id="a16"
                        x3="2.89423"
                        y3="2.79871"
                        z3="-0.23421"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-4.10865"
                        y3="-2.09316"
                        z3="-0.99031"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-5.69112"
                        y3="-0.34132"
                        z3="-0.05112"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.80628"
                        y3="1.01686"
                        z3="-0.76093"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-1.64775"
                        y3="-1.39832"
                        z3="-1.29147"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-2.01599"
                        y3="-1.83097"
                        z3="0.39996"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-4.78174"
                        y3="1.13254"
                        z3="1.62564"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-4.18499"
                        y3="1.98916"
                        z3="0.18746"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-2.26056"
                        y3="1.75085"
                        z3="1.65597"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.64802"
                        y3="0.0590"
                        z3="2.04433"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-0.15632"
                        y3="-0.41766"
                        z3="1.42668"/>
                  <atom elementType="H"
                        id="a27"
                        x3="0.01542"
                        y3="1.28021"
                        z3="0.95712"/>
                  <atom elementType="H"
                        id="a28"
                        x3="0.58442"
                        y3="-1.16007"
                        z3="-0.88614"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.62521"
                        y3="0.52168"
                        z3="-1.43232"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.2290"
                        y3="-0.81646"
                        z3="-2.44919"/>
                  <atom elementType="H"
                        id="a31"
                        x3="5.36781"
                        y3="-1.30467"
                        z3="-0.71977"/>
                  <atom elementType="H"
                        id="a32"
                        x3="5.41139"
                        y3="0.43722"
                        z3="-1.16579"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.99357"
                        y3="-2.64567"
                        z3="2.56032"/>
                  <atom elementType="H"
                        id="a34"
                        x3="3.38166"
                        y3="-2.93588"
                        z3="0.82722"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.67453"
                        y3="-2.67046"
                        z3="1.33871"/>
                  <atom elementType="H"
                        id="a36"
                        x3="1.85572"
                        y3="2.96886"
                        z3="-0.58702"/>
                  <atom elementType="H"
                        id="a37"
                        x3="3.56929"
                        y3="2.78898"
                        z3="-1.11314"/>
                  <atom elementType="H"
                        id="a38"
                        x3="3.18317"
                        y3="3.62855"
                        z3="0.4312"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a29" order="S"/>
                  <bond atomRefs2="a13 a28" order="S"/>
                  <bond atomRefs2="a14 a32" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a30" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a34" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
               </bondArray>
               <formula concise="C 11 H 22 O 4 Si 1"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29497.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=000018819-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">000018819</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="38">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="38">28 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="38">27.9769284 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="38">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</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="38">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">0.000205 0.000068 0.121014 0.027816</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">-3.308019e-05</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.catchall">
                     <list cmlx:templateRef="l103.discard">
                        <scalar dataType="xsd:string" dictRef="x:discard"/>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 10F)</scalar>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:double" dictRef="cc:nucrepener">1291.0050888453</scalar>
                     <module cmlx:templateRef="symaddnuc">
                        <scalar dataType="xsd:integer" dictRef="cc:basiscount">212</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:primbasis">484</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">212</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:alphae">67</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:betae">67</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">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">38</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">38</scalar>
                        <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                        <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                        <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                     </module>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="2.566893"
                                 y3="0.002811"
                                 z3="0.008634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="-4.199945"
                                 y3="0.004783"
                                 z3="-1.613124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="3.502463"
                                 y3="-0.494854"
                                 z3="-1.352053">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="2.9221"
                                 y3="-0.935512"
                                 z3="1.406677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="3.01183"
                                 y3="1.57477"
                                 z3="0.548778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-3.69667"
                                 y3="-1.110387"
                                 z3="-0.718513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-4.62966"
                                 y3="-0.077569"
                                 z3="-0.154066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-1.72524"
                                 y3="0.310862"
                                 z3="0.092221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-2.212224"
                                 y3="-1.078381"
                                 z3="-0.394564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-4.112362"
                                 y3="1.03745"
                                 z3="0.74899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-2.656088"
                                 y3="0.809774"
                                 z3="1.226576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-0.250152"
                                 y3="0.276915"
                                 z3="0.565287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="0.760964"
                                 y3="-0.123391"
                                 z3="-0.5413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="4.96222"
                                 y3="-0.54403"
                                 z3="-1.414912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="2.728468"
                                 y3="-2.374835"
                                 z3="1.52528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="2.894233"
                                 y3="2.798712"
                                 z3="-0.234211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-4.108654"
                                 y3="-2.093159"
                                 z3="-0.990311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-5.691122"
                                 y3="-0.341317"
                                 z3="-0.051115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-1.806277"
                                 y3="1.016861"
                                 z3="-0.760932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-1.647752"
                                 y3="-1.398322"
                                 z3="-1.291474">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-2.015992"
                                 y3="-1.830971"
                                 z3="0.399963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-4.781743"
                                 y3="1.132543"
                                 z3="1.62564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-4.184992"
                                 y3="1.989159"
                                 z3="0.187464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-2.260559"
                                 y3="1.750849"
                                 z3="1.655966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="-2.648018"
                                 y3="0.058995"
                                 z3="2.044329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-0.156315"
                                 y3="-0.417664"
                                 z3="1.42668">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="0.015421"
                                 y3="1.280213"
                                 z3="0.957122">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="0.584417"
                                 y3="-1.160072"
                                 z3="-0.88614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.625211"
                                 y3="0.521678"
                                 z3="-1.43232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.2290"
                                 y3="-0.81646"
                                 z3="-2.44919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="5.367814"
                                 y3="-1.304668"
                                 z3="-0.719768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="5.41139"
                                 y3="0.437223"
                                 z3="-1.165789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.993569"
                                 y3="-2.645665"
                                 z3="2.560317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="3.381665"
                                 y3="-2.935875"
                                 z3="0.827221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="1.674531"
                                 y3="-2.670456"
                                 z3="1.338708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="1.855719"
                                 y3="2.96886"
                                 z3="-0.587023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="3.569289"
                                 y3="2.788983"
                                 z3="-1.113141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="3.183169"
                                 y3="3.628547"
                                 z3="0.431195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a10" order="S"/>
                           <bond atomRefs2="a7 a18" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a10 a22" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a24" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a26" order="S"/>
                           <bond atomRefs2="a12 a27" order="S"/>
                           <bond atomRefs2="a13 a29" order="S"/>
                           <bond atomRefs2="a13 a28" order="S"/>
                           <bond atomRefs2="a14 a32" order="S"/>
                           <bond atomRefs2="a14 a31" order="S"/>
                           <bond atomRefs2="a14 a30" order="S"/>
                           <bond atomRefs2="a15 a35" order="S"/>
                           <bond atomRefs2="a15 a34" order="S"/>
                           <bond atomRefs2="a15 a33" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a16 a37" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 22 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="741">0.000000 6.958462 0.000000 1.724654 7.723010 0.000000 1.720798 7.792745 2.853347 0.000000 1.720692 7.690798 2.852582 2.654347 0.000000 6.403138 1.515658 7.253121 6.953785 7.336216 0.000000 7.198841 1.523249 8.230475 7.758934 7.849623 1.501927 0.000000 4.303985 3.020935 5.483063 4.987887 4.923996 2.561986 2.940611 0.000000 4.916452 2.570830 5.823653 5.442992 5.934631 1.519719 2.627444 1.550519 0.000000 6.799342 2.579468 8.046608 7.335447 7.147231 2.634306 1.525246 2.580238 3.065123 0.000000 5.423477 3.330976 6.802877 5.847618 5.759334 2.924586 2.566814 1.549888 2.527892 1.549406 0.000000 2.884569 4.518893 4.284150 3.498728 3.510730 3.930806 4.452327 1.549461 2.570577 3.940663 2.551425 0.000000 1.892018 5.076993 2.882902 3.020706 3.022982 4.569033 5.404709 2.602140 3.126241 5.173172 3.958842 1.551495 0.000000 2.839562 9.180727 1.461937 3.503814 3.485601 8.705292 9.685633 6.908286 7.266312 9.462113 8.176115 5.635953 4.311692 0.000000 2.824805 7.969634 3.523130 1.457124 4.078386 6.922126 7.889213 5.394640 5.456833 7.683962 6.262939 4.101895 3.634670 4.121435 0.000000 2.825454 7.748213 3.530877 4.078936 1.457716 7.678255 8.055332 5.256946 6.413538 7.291166 6.074194 4.109235 3.630954 4.104211 5.467072 0.000000 7.067808 2.190340 7.785534 7.517792 8.156212 1.099748 2.243514 3.554132 2.231846 3.581326 3.930847 4.788024 5.272075 9.211994 7.290664 8.575693 0.000000 8.265398 2.187068 9.286443 8.755902 8.931553 2.239359 1.098573 4.021704 3.572667 2.243580 3.488400 5.510564 6.474348 10.742194 8.803960 9.143393 2.540717 0.000000 4.554684 2.734992 5.551345 5.555883 5.024018 2.846150 3.088293 1.110348 2.165423 2.756504 2.171463 2.174374 2.817648 6.976863 6.106904 5.054426 3.876310 4.176183 0.000000 4.627817 2.930162 5.229210 5.327078 5.825591 2.146918 3.453963 2.200438 1.106995 4.021291 3.497571 2.864833 2.826681 6.666092 5.295185 6.273956 2.574789 4.359426 2.477845 0.000000 4.951639 3.491728 5.942063 5.118601 6.074554 2.143574 3.195720 2.183275 1.111833 3.569934 2.840167 2.754761 3.393124 7.324304 4.906325 6.778381 2.526032 3.991130 3.082500 1.784305 0.000000 7.608775 3.478494 8.952270 7.979599 7.880037 3.420990 2.157511 3.516923 3.946117 1.107081 2.186742 4.731994 6.082319 10.344113 8.289454 8.071913 4.207303 2.410548 3.816085 4.973603 4.234865 0.000000 7.040278 2.679569 8.224196 7.781448 7.217791 3.265951 2.141433 2.979284 3.693287 1.107401 2.192772 4.307841 5.427379 9.625806 8.284330 7.137830 4.249506 2.785043 2.739179 4.483288 4.398080 1.777147 0.000000 5.391997 4.182931 6.877775 5.842828 5.390265 3.985880 3.497423 2.192129 3.494503 2.181907 1.107448 2.720992 4.179755 8.177120 6.475240 5.589514 5.019426 4.365781 2.566419 4.356629 3.803524 2.596072 2.432433 0.000000 5.598438 3.973459 7.047736 5.694020 6.047159 3.178116 2.962853 2.173863 2.726122 2.186225 1.110160 2.825742 4.282511 8.381271 5.924487 6.588956 3.996782 3.716398 3.081481 3.775167 2.583673 2.424992 3.088004 1.778573 0.000000 3.098954 5.076398 4.594994 3.121731 3.844171 4.197122 4.756599 2.184733 2.824932 4.269301 2.792044 1.110515 2.191105 5.855768 3.487436 4.733865 4.926471 5.729205 3.092876 3.251836 2.551467 4.882347 4.853730 3.030324 2.610992 0.000000 3.006891 5.099235 4.543414 3.682434 3.038417 4.722535 4.965389 2.172003 3.514601 4.140150 2.725964 1.109356 2.184309 5.781456 4.587244 3.465930 5.672753 6.017519 2.517866 3.872580 3.757197 4.845772 4.328793 2.426925 3.125268 1.769962 0.000000 2.466400 4.977501 3.028957 3.282103 3.928191 4.284656 5.375346 2.907809 2.840690 5.437140 4.341052 2.206372 1.106703 4.452445 3.447833 4.629496 4.786065 6.383574 3.235758 2.281148 2.977632 6.353015 5.815285 4.798922 4.530167 2.539486 3.110685 0.000000 2.472994 4.856130 3.052599 3.931794 3.275622 4.674592 5.441204 2.809500 3.418796 5.241062 4.233161 2.194676 1.108359 4.466059 4.643369 3.430570 5.426069 6.522925 2.570623 2.978691 3.983487 6.241749 5.283489 4.401822 4.797415 3.109184 2.580049 1.768689 0.000000 3.714689 9.501497 2.070766 4.494849 4.429632 9.096660 10.149223 7.489398 7.724112 10.046212 8.850452 6.348515 4.907518 1.102325 4.947485 4.840118 9.536775 11.190424 7.463672 6.997756 7.850912 10.982615 10.170874 8.918345 9.110738 6.647031 6.571180 4.912570 4.900970 0.000000 3.175725 9.698183 2.129582 3.261834 3.930780 9.066566 10.088373 7.319882 7.590385 9.875044 8.523035 5.976145 4.759237 1.107385 3.626520 4.815817 9.513062 11.120936 7.540476 7.039445 7.486747 10.698338 10.145367 8.554085 8.587978 5.992497 6.175895 4.788473 5.131818 1.802364 0.000000 3.107917 9.631452 2.132478 3.833868 3.160956 9.249428 10.105013 7.247761 7.810975 9.732857 8.422969 5.922447 4.725541 1.107553 4.727324 3.574989 9.852150 11.185455 7.252214 7.294965 7.922265 10.591294 9.814802 8.279294 8.683431 6.200892 5.859511 5.092075 4.794338 1.803359 1.798616 0.000000 3.702373 8.728638 4.493506 2.064126 4.675328 7.607043 8.489795 6.090953 6.187728 8.206126 6.755557 4.800348 4.578910 4.908656 1.102238 6.120498 7.959510 9.357000 6.890814 6.159060 5.516027 8.695053 8.868132 6.910358 6.277653 4.021305 5.181903 4.459716 5.619816 5.782586 4.265474 5.406840 0.000000 3.157501 8.490204 3.274509 2.132703 4.534339 7.471581 8.562369 6.096065 6.019521 8.482563 7.116448 4.855999 4.080562 3.639538 1.108476 5.852326 7.753610 9.477271 6.712756 5.669918 5.526126 9.155912 9.050942 7.381524 6.841613 4.383839 5.396654 3.730104 4.965706 4.317341 2.999800 4.412444 1.799573 0.000000 3.116370 7.097865 3.913410 2.138008 4.520432 5.959511 6.978127 4.690462 4.543765 6.898149 5.556873 3.604106 3.294932 4.786754 1.110398 5.820098 6.261216 7.849162 5.488244 4.424223 3.899479 7.498574 7.574390 5.927354 5.160643 2.904274 4.301865 2.901647 4.355386 5.515408 4.443314 5.467567 1.798000 1.801769 0.000000 3.107736 6.819802 3.910799 4.511777 2.137785 6.891050 7.178323 4.511052 5.741547 6.413522 5.320451 3.606810 3.280639 4.761948 5.811935 1.109927 7.833289 8.258285 4.153403 5.642946 6.245211 7.233522 6.168455 4.843376 5.972853 4.424006 2.936428 4.330561 2.866597 5.401420 5.533125 4.403062 6.536310 6.260551 5.961808 0.000000 3.166375 8.268177 3.293195 4.543149 2.132381 8.255603 8.738404 5.968754 6.992764 8.095873 6.938794 4.869880 4.086027 3.624955 5.859459 1.108293 9.099517 9.832695 5.671083 6.691998 7.404649 8.943403 7.903174 6.537033 7.488482 5.532938 4.380908 4.955404 3.729630 4.187945 4.488587 2.987789 6.584918 6.047661 6.277511 1.801521 0.000000 3.701934 8.474744 4.503816 4.674437 2.064263 8.432764 8.667071 5.934174 7.207449 7.748519 6.532613 4.799907 4.570543 4.897298 6.119181 1.102214 9.377061 9.733729 5.756444 7.181560 7.539137 8.431877 7.552271 5.887273 7.024717 5.339941 3.978178 5.605333 4.434915 5.678039 5.516702 4.207122 6.628337 6.579352 6.540413 1.798354 1.799703 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.stoich">
                     <scalar cmlx:templateRef="stoich"
                             dataType="xsd:string"
                             dictRef="g:stoichiometry">C11H22O4Si</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:pointgroup">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:largestconciseabelian">C1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:operatorcount">1</scalar>
                  </module>
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Si"
                                 id="a1"
                                 x3="-2.307047"
                                 y3="0.023437"
                                 z3="-0.025222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a2"
                                 x3="4.457898"
                                 y3="0.047599"
                                 z3="1.604237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a3"
                                 x3="-3.249725"
                                 y3="-0.375632"
                                 z3="1.362774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a4"
                                 x3="-2.672274"
                                 y3="-0.997446"
                                 z3="-1.361467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a5"
                                 x3="-2.732588"
                                 y3="1.563131"
                                 z3="-0.664784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="3.942046"
                                 y3="-1.116033"
                                 z3="0.78139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="4.887875"
                                 y3="-0.132345"
                                 z3="0.154055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="1.98855"
                                 y3="0.274306"
                                 z3="-0.121153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="2.458377"
                                 y3="-1.086942"
                                 z3="0.453629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="4.384807"
                                 y3="0.929186"
                                 z3="-0.818801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="2.926322"
                                 y3="0.689046"
                                 z3="-1.283361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="0.513577"
                                 y3="0.228003"
                                 z3="-0.59353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="-0.503249"
                                 y3="-0.089142"
                                 z3="0.534575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="-4.710022"
                                 y3="-0.403291"
                                 z3="1.426233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-2.495847"
                                 y3="-2.443604"
                                 z3="-1.388154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-2.60098"
                                 y3="2.832823"
                                 z3="0.03913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="4.341952"
                                 y3="-2.084413"
                                 z3="1.115696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="5.946181"
                                 y3="-0.414748"
                                 z3="0.069794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="2.077314"
                                 y3="1.032029"
                                 z3="0.685598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.889313"
                                 y3="-1.342533"
                                 z3="1.368111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="2.253814"
                                 y3="-1.886061"
                                 z3="-0.291847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="5.056052"
                                 y3="0.960433"
                                 z3="-1.69862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="4.468374"
                                 y3="1.913691"
                                 z3="-0.318698">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="2.542508"
                                 y3="1.605615"
                                 z3="-1.772267">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="2.90995"
                                 y3="-0.111987"
                                 z3="-2.051822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="0.412158"
                                 y3="-0.518694"
                                 z3="-1.409251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="0.260423"
                                 y3="1.207498"
                                 z3="-1.048693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-0.339475"
                                 y3="-1.103871"
                                 z3="0.944811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.360538"
                                 y3="0.609529"
                                 z3="1.383075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-4.980966"
                                 y3="-0.606302"
                                 z3="2.475279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-5.124116"
                                 y3="-1.201633"
                                 z3="0.780107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="-5.14715"
                                 y3="0.565458"
                                 z3="1.114592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-2.763274"
                                 y3="-2.776417"
                                 z3="-2.404346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-3.156352"
                                 y3="-2.951356"
                                 z3="-0.656963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="-1.445703"
                                 y3="-2.739342"
                                 z3="-1.181465">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="-1.560807"
                                 y3="3.01262"
                                 z3="0.382133">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="-3.276877"
                                 y3="2.886975"
                                 z3="0.915796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="-2.879339"
                                 y3="3.622128"
                                 z3="-0.678081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a1 a3" order="S"/>
                           <bond atomRefs2="a1 a4" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a14" order="S"/>
                           <bond atomRefs2="a4 a15" order="S"/>
                           <bond atomRefs2="a5 a16" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a6 a17" order="S"/>
                           <bond atomRefs2="a7 a10" order="S"/>
                           <bond atomRefs2="a7 a18" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a12" order="S"/>
                           <bond atomRefs2="a8 a19" order="S"/>
                           <bond atomRefs2="a9 a21" order="S"/>
                           <bond atomRefs2="a9 a20" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a23" order="S"/>
                           <bond atomRefs2="a10 a22" order="S"/>
                           <bond atomRefs2="a11 a25" order="S"/>
                           <bond atomRefs2="a11 a24" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a26" order="S"/>
                           <bond atomRefs2="a12 a27" order="S"/>
                           <bond atomRefs2="a13 a29" order="S"/>
                           <bond atomRefs2="a13 a28" order="S"/>
                           <bond atomRefs2="a14 a32" order="S"/>
                           <bond atomRefs2="a14 a31" order="S"/>
                           <bond atomRefs2="a14 a30" order="S"/>
                           <bond atomRefs2="a15 a35" order="S"/>
                           <bond atomRefs2="a15 a34" order="S"/>
                           <bond atomRefs2="a15 a33" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a16 a37" order="S"/>
                           <bond atomRefs2="a16 a38" order="S"/>
                        </bondArray>
                        <formula concise="C 11 H 22 O 4 Si 1"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">224.2007999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.8556890 0.1864110 0.1788122</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= 10440 NPrTT= 51122 LenC2= 9231 LenP2D= 28927.</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= 212 RedAO= T EigKep= 2.01D-03 NBF= 212</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 212 1.00D-06 EigRej= -1.00D+00 NBFU= 212</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= 206 207 207 207 207 MxSgAt= 38 MxSgA2= 38.</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">-1021.28665369262</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.36294258869</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.076288896067</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.64791361852</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.284971029823</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.65922387551</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.011310256995</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67515857131</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.015934695795</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67672594444</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001567373134</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67679649078</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000070546343</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67680427487</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000007784085</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692293834</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000118663475</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692341739</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000479052</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692361248</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000195086</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692379046</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000177981</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692380420</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000013736</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692380446</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000267</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692380454</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000078</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1021.67692380455</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000007</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">-1021.67692380</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">1.017026361682e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-4.982294251366e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.652585877035e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral symmetry usage will be decided dynamically.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Keep J ints in memory in canonical form, NReq=259882381.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=      156358 IEndB=      156358 NGot=   402653184 MDV=   147602496</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=   147602496 LenY=   147557111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">wScrn=  0.000000 ICntrl=     600 IOpCl=  0 I1Cent=           0 NGrid=           0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NMat0=    1 NMatS0=  22578 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Symmetry not used in FoFCou.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Integral accuracy reduced to 1.0D-05 until final iterations.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
               <module cmlx:templateRef="l1101">
                  <list cmlx:templateRef="l1101">
                     <scalar dataType="xsd:string" dictRef="g:l1101">Using compressed storage, NAtomX=    38.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1101">Will process     39 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=11111111111111111111111111111111111111</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= 402652588 using IRadAn= 2.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">Generate precomputed XC quadrature information.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Keep J ints in memory in canonical form, NReq=259737143.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="8">FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">NMat0= 1 NMatS0= 22578 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="5">Symmetry not used in FoFCou.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">Solving linear equations simultaneously, MaxMat= 0.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="14">There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">114 vectors produced by pass 0 Test12= 9.72D-15 1.00D-09 XBig12= 1.29D+02 2.25D+00.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="10">AX will form 114 AO Fock derivatives at one time.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">114 vectors produced by pass 1 Test12= 9.72D-15 1.00D-09 XBig12= 2.78D+01 7.43D-01.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">114 vectors produced by pass 2 Test12= 9.72D-15 1.00D-09 XBig12= 5.96D-02 2.86D-02.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">114 vectors produced by pass 3 Test12= 9.72D-15 1.00D-09 XBig12= 1.48D-05 3.08D-04.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">59 vectors produced by pass 4 Test12= 9.72D-15 1.00D-09 XBig12= 5.73D-10 2.42D-06.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="12">4 vectors produced by pass 5 Test12= 9.72D-15 1.00D-09 XBig12= 3.55D-14 1.97D-08.</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="6">InvSVY: IOpt=1 It= 1 EMax= 1.95D-14</array>
                     <array dataType="xsd:string" dictRef="g:l1002.minotr" size="9">Solved reduced A of dimension 519 with 117 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 146.76 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">172.072 4.132 140.906 -6.284 -1.962 127.314</array>
                  <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">223.051 8.041 226.832 -4.627 1.566 224.769</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">PT2273.800S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2017-04-25T03:31:20.000+02:00</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="67">-65.51852 -18.75804 -18.75168 -18.74918 -18.74908 -9.94824 -9.94729 -9.94254 -9.94174 -9.93852 -9.90157 -9.90042 -9.89980 -9.89929 -9.89496 -9.89128 -5.13378 -3.54579 -3.54503 -3.54242 -0.94720 -0.91975 -0.89712 -0.89545 -0.74908 -0.69651 -0.67240 -0.63596 -0.62448 -0.61270 -0.60784 -0.56881 -0.55256 -0.52342 -0.48192 -0.47637 -0.45339 -0.42786 -0.42559 -0.41227 -0.40262 -0.39967 -0.39360 -0.39293 -0.38672 -0.38286 -0.38128 -0.37780 -0.36948 -0.36467 -0.35408 -0.33837 -0.33310 -0.32187 -0.30921 -0.30128 -0.28184 -0.27857 -0.27401 -0.27036 -0.26050 -0.24741 -0.23130 -0.22816 -0.22543 -0.21776 -0.20262</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="145">0.00925 0.04062 0.04241 0.04851 0.04902 0.06483 0.08725 0.09137 0.09554 0.09992 0.10348 0.11341 0.11492 0.12243 0.12805 0.13479 0.14003 0.14508 0.14868 0.15199 0.15770 0.16343 0.16688 0.16794 0.17009 0.17293 0.17552 0.18443 0.18651 0.19353 0.20313 0.20664 0.21218 0.21741 0.22452 0.23412 0.24250 0.25346 0.25621 0.26204 0.27460 0.27845 0.28049 0.29212 0.29946 0.30338 0.31309 0.31518 0.32132 0.33016 0.33774 0.34457 0.34736 0.35652 0.36336 0.36681 0.37890 0.39171 0.40555 0.41285 0.42649 0.43333 0.44777 0.45497 0.47140 0.47599 0.48851 0.49868 0.51217 0.52557 0.54732 0.56701 0.58986 0.62484 0.64664 0.67184 0.71245 0.73134 0.74282 0.77804 0.78786 0.80336 0.81128 0.82285 0.83803 0.85092 0.86263 0.87027 0.87996 0.90333 0.93343 0.93703 0.96394 0.97109 0.97723 1.00219 1.00542 1.02332 1.04311 1.04586 1.05840 1.06014 1.07206 1.07548 1.08393 1.09548 1.11935 1.12758 1.14193 1.15455 1.16388 1.18005 1.19032 1.21072 1.22748 1.24271 1.26498 1.29653 1.39363 1.41457 1.50333 1.58481 1.60990 1.63850 1.72261 4.94868 5.02232 5.02812 5.57737 22.41266 22.48988 22.51617 22.51733 22.55506 22.57343 22.61464 22.64248 22.67382 22.67754 22.69967 41.49787 41.49972 41.50456 41.56131 142.92600</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="38">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="38">Si O O O O C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="38">1.547848 -0.315835 -0.591766 -0.576006 -0.576245 -0.107438 -0.076517 0.016406 -0.461150 -0.450946 -0.468999 -0.368060 -0.976227 -0.476499 -0.490707 -0.491633 0.218695 0.217592 0.226450 0.231368 0.191507 0.204895 0.228679 0.207189 0.207966 0.205447 0.216215 0.268745 0.260462 0.227676 0.217289 0.218331 0.237324 0.216137 0.202672 0.205741 0.216386 0.237008</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="16">Si O O O O C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="16">1.547848 -0.315835 -0.591766 -0.576006 -0.576245 0.111257 0.141075 0.242856 -0.038276 -0.017373 -0.053843 0.053602 -0.447021 0.186797 0.165427 0.167501</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">5.36506256e-02 -4.64607669e-01 -2.70083554e-01</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l716.polarizability">
                     <array cmlx:templateRef="polariz"
                            dataType="xsd:double"
                            dictRef="cc:polarizability"
                            size="6">1.72071986e+02 4.13233060e+00 1.40905541e+02 -6.28405483e+00 -1.96241150e+00 1.27313553e+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">-19.4714 -10.0634 -6.7363 -0.0012 -0.0010 0.0009 7.6640 10.3609 25.5565</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations">
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                        x3="2.894233"
                        y3="2.798712"
                        z3="-0.234211"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-4.108654"
                        y3="-2.093159"
                        z3="-0.990311"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-5.691122"
                        y3="-0.341317"
                        z3="-0.051115"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-1.806277"
                        y3="1.016861"
                        z3="-0.760932"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-1.647752"
                        y3="-1.398322"
                        z3="-1.291474"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-2.015992"
                        y3="-1.830971"
                        z3="0.399963"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-4.781743"
                        y3="1.132543"
                        z3="1.62564"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-4.184992"
                        y3="1.989159"
                        z3="0.187464"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-2.260559"
                        y3="1.750849"
                        z3="1.655966"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-2.648018"
                        y3="0.058995"
                        z3="2.044329"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-0.156315"
                        y3="-0.417664"
                        z3="1.42668"/>
                  <atom elementType="H"
                        id="a27"
                        x3="0.015421"
                        y3="1.280213"
                        z3="0.957122"/>
                  <atom elementType="H"
                        id="a28"
                        x3="0.584417"
                        y3="-1.160072"
                        z3="-0.88614"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.625211"
                        y3="0.521678"
                        z3="-1.43232"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.2290"
                        y3="-0.81646"
                        z3="-2.44919"/>
                  <atom elementType="H"
                        id="a31"
                        x3="5.367814"
                        y3="-1.304668"
                        z3="-0.719768"/>
                  <atom elementType="H"
                        id="a32"
                        x3="5.41139"
                        y3="0.437223"
                        z3="-1.165789"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.993569"
                        y3="-2.645665"
                        z3="2.560317"/>
                  <atom elementType="H"
                        id="a34"
                        x3="3.381665"
                        y3="-2.935875"
                        z3="0.827221"/>
                  <atom elementType="H"
                        id="a35"
                        x3="1.674531"
                        y3="-2.670456"
                        z3="1.338708"/>
                  <atom elementType="H"
                        id="a36"
                        x3="1.855719"
                        y3="2.96886"
                        z3="-0.587023"/>
                  <atom elementType="H"
                        id="a37"
                        x3="3.569289"
                        y3="2.788983"
                        z3="-1.113141"/>
                  <atom elementType="H"
                        id="a38"
                        x3="3.183169"
                        y3="3.628547"
                        z3="0.431195"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a29" order="S"/>
                  <bond atomRefs2="a13 a28" order="S"/>
                  <bond atomRefs2="a14 a32" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a30" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a34" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
               </bondArray>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">224.2007999999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,16,11,10,12,13,9,8,7,6,3,4,5,2,1/E:(1,2,3)(12,13,14)/rA:38SiOOOOCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s1;s1;s2;s2s6;;s6s8;s7;s8s10;s8;s1s12;s3;s4;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
