<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        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:run.date">
                  <scalar dataType="xsd:string">9-Apr-2021</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">ES64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Gen</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">SP</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">b3lyp/gen</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(smd,solvent=1,4-dioxane)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">empiricaldispersion=gd3int=(acc2e=11,grid=ultrafine)</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="B"
                        id="a1"
                        x3="-0.01337"
                        y3="0.41793"
                        z3="0.0399"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-0.59225"
                        y3="1.29633"
                        z3="-1.11333"/>
                  <atom elementType="H"
                        id="a3"
                        x3="-1.10239"
                        y3="0.70842"
                        z3="-1.88243"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-1.63356"
                        y3="2.25569"
                        z3="-0.46671"/>
                  <atom elementType="H"
                        id="a5"
                        x3="-2.50181"
                        y3="1.65464"
                        z3="-0.1731"/>
                  <atom elementType="H"
                        id="a6"
                        x3="-1.99701"
                        y3="2.96323"
                        z3="-1.22018"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-1.13281"
                        y3="3.03466"
                        z3="0.76537"/>
                  <atom elementType="H"
                        id="a8"
                        x3="-1.99522"
                        y3="3.47281"
                        z3="1.27704"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-0.52736"
                        y3="3.88017"
                        z3="0.44164"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-0.33784"
                        y3="2.1865"
                        z3="1.77711"/>
                  <atom elementType="H"
                        id="a11"
                        x3="0.14915"
                        y3="2.84781"
                        z3="2.50217"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-1.04191"
                        y3="1.57421"
                        z3="2.35219"/>
                  <atom elementType="C"
                        id="a13"
                        x3="0.71962"
                        y3="1.22954"
                        z3="1.15384"/>
                  <atom elementType="H"
                        id="a14"
                        x3="1.11706"
                        y3="0.59514"
                        z3="1.95196"/>
                  <atom elementType="C"
                        id="a15"
                        x3="1.91628"
                        y3="1.95032"
                        z3="0.46745"/>
                  <atom elementType="H"
                        id="a16"
                        x3="2.6579"
                        y3="1.18663"
                        z3="0.20682"/>
                  <atom elementType="H"
                        id="a17"
                        x3="2.40648"
                        y3="2.61433"
                        z3="1.18797"/>
                  <atom elementType="C"
                        id="a18"
                        x3="1.56192"
                        y3="2.74797"
                        z3="-0.80274"/>
                  <atom elementType="H"
                        id="a19"
                        x3="2.48797"
                        y3="2.99486"
                        z3="-1.33085"/>
                  <atom elementType="H"
                        id="a20"
                        x3="1.12417"
                        y3="3.7051"
                        z3="-0.52251"/>
                  <atom elementType="C"
                        id="a21"
                        x3="0.61952"
                        y3="2.01388"
                        z3="-1.77678"/>
                  <atom elementType="H"
                        id="a22"
                        x3="0.2577"
                        y3="2.71968"
                        z3="-2.53261"/>
                  <atom elementType="H"
                        id="a23"
                        x3="1.19641"
                        y3="1.25737"
                        z3="-2.32114"/>
                  <atom elementType="F"
                        id="a24"
                        x3="-0.13477"
                        y3="-0.92274"
                        z3="0.07037"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
               </bondArray>
               <formula concise="C8H14BF"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">125.89500319999999</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=1/C8H14BF/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,18,4,10,21,15,2,13,1,24/E:(1,2)(3,4,5,6)(7,8)/rA:24nBCHCHHCHHCHHCHCHHCHHCHHF/rB:s1;s2;s2;s4;s4;s4;s7;s7;s7;s10;s10;s1s10;s13;s13;s15;s15;s15;s18;s18;s2s18;s21;s21;s1;/rC:-.0134,.4179,.0399;-.5923,1.2963,-1.1133;-1.1024,.7084,-1.8824;-1.6336,2.2557,-.4667;-2.5018,1.6546,-.1731;-1.997,2.9632,-1.2202;-1.1328,3.0347,.7654;-1.9952,3.4728,1.277;-.5274,3.8802,.4416;-.3378,2.1865,1.7771;.1492,2.8478,2.5022;-1.0419,1.5742,2.3522;.7196,1.2295,1.1538;1.1171,.5951,1.952;1.9163,1.9503,.4674;2.6579,1.1866,.2068;2.4065,2.6143,1.188;1.5619,2.748,-.8027;2.488,2.9949,-1.3309;1.1242,3.7051,-.5225;.6195,2.0139,-1.7768;.2577,2.7197,-2.5326;1.1964,1.2574,-2.3211;-.1348,-.9227,.0704;</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">/aplic/Gaussian/g09d01_prebuilt/g09/l1.exe "/scratch/1916437.1.iqtc04.q/Gau-28646.inp" -scrdir="/scratch/1916437.1.iqtc04.q/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=13000MB</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=6</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p b3lyp/gen scrf=(smd,solvent=1,4-dioxane) nosymm empiricaldispersion</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/38=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=7,11=2,16=1,25=1,30=1,70=32201,72=31,74=-5,75=-5,124=31/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,53=31,87=11/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/5=1,9=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">Title</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="24">11 12 1 12 1 1 12 1 1 12 1 1 12 1 12 1 1 12 1 1 12 1 1 19</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="24">11.0093053 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 18.9984033</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="24">3 0 1 0 1 1 0 1 1 0 1 1 0 1 0 1 1 0 1 1 0 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="24">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 /aplic/Gaussian/g09d01_prebuilt/g09/l101.exe)</scalar>
                  </list>
               </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="8">NBasis= 611 RedAO= T EigKep= 1.40D-06 NBF= 611</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 611 1.00D-06 EigRej= -1.00D+00 NBFU= 611</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis2">
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(5D, 7F)</scalar>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="14">3 5 6 8 9 11 12 14 16 17 19 20 22 23</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">3</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="3">3.4061341000e+01 5.1235746000e+00 1.1646626000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="3">6.0251978000e-03 4.5021094000e-02 2.0189726000e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.2723041000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0307241000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.4070000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.8800000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.5774129632e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0570000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">1</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">8.5648660687e+03 1.2841516263e+03 2.9227871604e+02 8.2775469176e+01 2.7017939269e+01 9.8149619660e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.2837198155e-04 1.7682576447e-03 9.1407080516e-03 3.6342638989e-02 1.1063458441e-01 2.3367344321e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">3.9318559059e+00 1.6595599712e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">4.1818777978e-01 2.2325473798e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.5762965239e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.4246277496e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.0560594768e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.1334737069e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">2.2453875803e+01 5.1045058330e+00 1.4986081344e+00 5.0927831315e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">5.0265575179e-03 3.2801738965e-02 1.3151230768e-01 3.3197167769e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.8147077798e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.7314319570e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.4621893904e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.5802783943e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.6100000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.9900000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.9549085820e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.9000000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="8">2 4 7 10 13 15 18 21</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">1.3575349682e+04 2.0352333680e+03 4.6322562359e+02 1.3120019598e+02 4.2853015891e+01 1.5584185766e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.2245814352e-04 1.7232738252e-03 8.9255715314e-03 3.5727984502e-02 1.1076259931e-01 2.4295627626e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">6.2067138508e+00 2.5764896527e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">4.1440263448e-01 2.3744968655e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.7696339419e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.2972831358e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.5164440028e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.8475401370e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">3.4697232244e+01 7.9582622826e+00 2.3780826883e+00 8.1433208183e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">5.3333657805e-03 3.5864109092e-02 1.4215873329e-01 3.4270471845e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.8887547253e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.6445822433e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0056823671e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.4955789874e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0970000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.1800000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.0985336424e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">7.6100000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">24</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">3.5479100441e+04 5.3184728983e+03 1.2104810975e+03 3.4285518140e+02 1.1201943181e+02 4.0714740248e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.1545014888e-04 1.6700686527e-03 8.6733211476e-03 3.5049933175e-02 1.1165320133e-01 2.5988506647e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">1.6039678111e+01 6.5038186740e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">3.9422966880e-01 2.4998238551e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.5440477509e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.1223452862e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.4027979698e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.0918446478e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">8.0233900483e+01 1.8594010743e+01 5.6867902653e+00 1.9511006294e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">6.3685999134e-03 4.4303143530e-02 1.6867248708e-01 3.6166346255e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.6970211298e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.4202901491e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.1651300410e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.4319875730e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.9613282472e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.1070000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">8.5500000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.8608388111e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.9170000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <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=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=131</scalar>
                     <module cmlx:templateRef="natoms">
                        <list cmlx:templateRef="natoms">
                           <list>
                              <scalar dataType="xsd:integer" dictRef="cc:natoms">24</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">24</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">24</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>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l301.dispersion">
                     <scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D3</scalar>
                     <scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.0231510637</scalar>
                  </module>
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM (using non-symmetric T matrix)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">1,4-Dioxane</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">2.209900</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">2.023222</scalar>
                  </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="B"
                                 id="a1"
                                 x3="-0.013372"
                                 y3="0.417926"
                                 z3="0.039897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-0.59225"
                                 y3="1.296329"
                                 z3="-1.113329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a3"
                                 x3="-1.102394"
                                 y3="0.70842"
                                 z3="-1.882433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-1.633559"
                                 y3="2.255686"
                                 z3="-0.46671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a5"
                                 x3="-2.501809"
                                 y3="1.654638"
                                 z3="-0.173103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a6"
                                 x3="-1.997009"
                                 y3="2.963231"
                                 z3="-1.22018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-1.132812"
                                 y3="3.034662"
                                 z3="0.765371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="-1.995222"
                                 y3="3.472807"
                                 z3="1.27704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="-0.527363"
                                 y3="3.880173"
                                 z3="0.441638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-0.337844"
                                 y3="2.186496"
                                 z3="1.777113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="0.149146"
                                 y3="2.847809"
                                 z3="2.502171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-1.041911"
                                 y3="1.574208"
                                 z3="2.352186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="0.719616"
                                 y3="1.229537"
                                 z3="1.153842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="1.117055"
                                 y3="0.595142"
                                 z3="1.951964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="1.91628"
                                 y3="1.950316"
                                 z3="0.467454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="2.657897"
                                 y3="1.186631"
                                 z3="0.20682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="2.406478"
                                 y3="2.614325"
                                 z3="1.187968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a18"
                                 x3="1.561916"
                                 y3="2.747974"
                                 z3="-0.802735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="2.487974"
                                 y3="2.994861"
                                 z3="-1.330845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="1.12417"
                                 y3="3.705096"
                                 z3="-0.522511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="0.619521"
                                 y3="2.013878"
                                 z3="-1.776782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="0.257697"
                                 y3="2.719678"
                                 z3="-2.532609">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="1.196413"
                                 y3="1.257371"
                                 z3="-2.321143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a24"
                                 x3="-0.134768"
                                 y3="-0.922735"
                                 z3="0.07037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a24" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a13" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a2 a21" order="S"/>
                           <bond atomRefs2="a4 a6" order="S"/>
                           <bond atomRefs2="a4 a7" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a7 a10" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a10 a13" order="S"/>
                           <bond atomRefs2="a13 a15" order="S"/>
                           <bond atomRefs2="a13 a14" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a18" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a18 a21" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a18 a19" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                        </bondArray>
                        <formula concise="C8H14BF"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">125.89500319999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C8H14BF/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:7,18,4,10,21,15,2,13,1,24/E:(1,2)(3,4,5,6)(7,8)/rA:24nBCHCHHCHHCHHCHCHHCHHCHHF/rB:s1;s2;s2;s4;s4;s4;s7;s7;s7;s10;s10;s1s10;s13;s13;s15;s15;s15;s18;s18;s2s18;s21;s21;s1;/rC:-.0134,.4179,.0399;-.5923,1.2963,-1.1133;-1.1024,.7084,-1.8824;-1.6336,2.2557,-.4667;-2.5018,1.6546,-.1731;-1.997,2.9632,-1.2202;-1.1328,3.0347,.7654;-1.9952,3.4728,1.277;-.5274,3.8802,.4416;-.3378,2.1865,1.7771;.1491,2.8478,2.5022;-1.0419,1.5742,2.3522;.7196,1.2295,1.1538;1.1171,.5951,1.952;1.9163,1.9503,.4675;2.6579,1.1866,.2068;2.4065,2.6143,1.188;1.5619,2.748,-.8027;2.488,2.9949,-1.3308;1.1242,3.7051,-.5225;.6195,2.0139,-1.7768;.2577,2.7197,-2.5326;1.1964,1.2574,-2.3211;-.1348,-.9227,.0704;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="300">0.000000 1.560968 0.000000 2.228387 1.094260 0.000000 2.501803 1.556537 2.163432 0.000000 2.786960 2.158431 2.403227 1.096048 0.000000 3.464273 2.182505 2.514575 1.095643 1.750317 0.000000 2.937136 2.616013 3.524655 1.541290 2.158553 2.166645 0.000000 3.845848 3.524096 4.291998 2.157046 2.380186 2.548682 1.094316 0.000000 3.523171 3.016353 3.973913 2.165115 3.037984 2.400475 1.089156 1.737370 0.000000 2.500208 3.035091 4.020140 2.591989 2.961243 3.512821 1.541098 2.156750 2.165168 0.000000 3.463169 4.003573 5.036674 3.513247 3.950735 4.298279 2.166750 2.547525 2.401923 1.095538 0.000000 2.782366 3.505596 4.322643 2.959837 2.918023 3.950113 2.158511 2.381054 3.038491 1.096046 1.750192 0.000000 1.561044 2.620213 3.579141 3.035886 3.509854 4.002715 2.615507 3.523888 3.014641 1.556425 2.182254 2.158195 0.000000 2.228289 3.579023 4.431860 4.021600 4.328351 5.036640 3.524367 4.292173 3.971980 2.163264 2.512784 2.404139 1.094264 0.000000 2.500916 3.036329 4.022023 3.683378 4.474064 4.380404 3.249850 4.274723 3.113905 2.617644 2.840481 3.527686 1.556488 2.163106 0.000000 2.784681 3.509741 4.328216 4.473602 5.194799 5.182739 4.254018 5.293722 4.178060 3.527040 3.784439 4.294344 2.157690 2.401995 1.095966 0.000000 3.463800 4.003180 5.037065 4.380466 5.183126 5.031064 3.589129 4.485520 3.281281 2.839266 2.622440 3.785318 2.182729 2.514637 1.095601 1.750478 0.000000 2.936100 2.616137 3.524780 3.250588 4.255077 3.589783 3.130927 4.183787 2.682429 3.252685 3.595593 4.255722 2.615973 3.524337 1.541172 2.158279 2.166575 0.000000 3.843990 3.524217 4.292179 4.275528 5.294761 4.486460 4.183993 5.208507 3.608009 4.277628 4.492633 5.295570 3.523795 4.291259 2.156800 2.379702 2.548699 1.094275 0.000000 3.523605 3.016177 3.973291 3.115922 4.180214 3.283118 2.683671 3.608732 1.920364 3.119600 3.291552 4.182879 3.016988 3.974279 2.164884 3.037583 2.399965 1.089142 1.737181 0.000000 2.499588 1.556739 2.163417 2.617466 3.527540 2.838539 3.251955 4.276819 3.117657 3.684632 4.384761 4.472364 3.035419 4.020435 2.592724 2.962092 3.513331 1.541354 2.156920 2.165199 0.000000 3.462561 2.182358 2.513511 2.839027 3.783709 2.620207 3.592966 4.489574 3.287737 4.383224 5.037580 5.182886 4.002975 5.036223 3.513288 3.951666 4.297796 2.166622 2.548352 2.400483 1.095602 0.000000 2.782581 2.158622 2.403815 3.527647 4.295200 3.784180 4.255658 5.295433 4.181322 4.473580 5.185617 5.191386 3.507653 4.324845 2.962204 2.920879 3.952144 2.158947 2.380691 3.038364 1.096100 1.750499 0.000000 1.346491 2.556302 2.722206 3.554882 3.507850 4.498243 4.140062 4.923224 4.833208 3.552679 4.495694 3.502045 2.556591 2.722390 3.552308 3.502431 4.496415 4.137046 4.918306 4.832520 3.550298 4.494074 3.499177 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">1.4819647 1.3493365 1.2708340</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= 5 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= 683 683 683 683 683 MxSgAt= 24 MxSgA2= 24.</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">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-437.909345595376</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.031521989234</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.122176393857</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.238239802093</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.206717812859</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.247389064198</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.009149262105</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248144987352</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000755923155</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248337539153</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000192551801</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248340283834</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000002744681</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248340411124</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000127290</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248340423453</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000012328</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248340423978</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000525</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-438.248340424057</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000080</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">-438.248340424</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">11</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">4.358501322113e+02</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-2.140690403989e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">7.070776548133e+02</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Two-electron integral symmetry not used.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=     1434493 IEndB=     1434493 NGot=  1703936000 MDV=  1702988058</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  1702988058 LenY=  1702518148</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT9986.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Fri Apr  9 15:34:48 2021</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="33">-10.16074 -10.16072 -10.14718 -10.14717 -6.77070 -1.19739 -0.82760 -0.76950 -0.75792 -0.68439 -0.67112 -0.57873 -0.57445 -0.55589 -0.52049 -0.48753 -0.46485 -0.45215 -0.45040 -0.42997 -0.41852 -0.41771 -0.40843 -0.38882 -0.35901 -0.35550 -0.34376 -0.33677 -0.33089 -0.32551 -0.29274 -0.29236 -0.25857</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="573">-0.00449 -0.00079 0.01821 0.02419 0.03129 0.04183 0.04839 0.04853 0.05331 0.05362 0.07796 0.09041 0.09203 0.09520 0.10360 0.10617 0.10864 0.11105 0.12982 0.13492 0.14651 0.14946 0.15109 0.15936 0.16062 0.16199 0.16640 0.17256 0.18623 0.18783 0.19555 0.19852 0.20519 0.20662 0.21028 0.21536 0.22490 0.22559 0.22934 0.22972 0.22991 0.23863 0.23934 0.24286 0.24788 0.25181 0.26046 0.26628 0.26633 0.27553 0.28371 0.28401 0.29123 0.29371 0.29450 0.30489 0.30499 0.30537 0.30913 0.31568 0.31919 0.32382 0.32963 0.33439 0.34227 0.34321 0.34759 0.35578 0.36070 0.36212 0.36421 0.36493 0.36898 0.37166 0.37281 0.37478 0.38532 0.38725 0.39044 0.39716 0.39782 0.40429 0.40499 0.40590 0.41535 0.41858 0.42045 0.42609 0.42895 0.44486 0.45064 0.45655 0.46220 0.46675 0.47247 0.47264 0.47763 0.48838 0.49574 0.49845 0.50683 0.51377 0.51596 0.52323 0.52392 0.53510 0.54047 0.54174 0.54797 0.55416 0.55745 0.56568 0.56981 0.57217 0.57866 0.57974 0.58238 0.58286 0.58863 0.59604 0.59923 0.60079 0.62038 0.62186 0.62385 0.62629 0.63474 0.63632 0.64721 0.65229 0.66484 0.66749 0.66813 0.66986 0.67355 0.68027 0.68846 0.68872 0.68880 0.69013 0.69749 0.70447 0.70965 0.71351 0.72293 0.72431 0.73619 0.73766 0.74263 0.74347 0.74671 0.75639 0.75826 0.76374 0.77171 0.77726 0.79529 0.80395 0.80819 0.81174 0.81777 0.81874 0.82309 0.82398 0.83662 0.85445 0.86740 0.86773 0.86862 0.87452 0.88952 0.89787 0.91401 0.92428 0.92524 0.93899 0.95353 0.96843 0.97832 0.97895 0.98319 0.99484 1.00228 1.01134 1.03199 1.04168 1.05665 1.06523 1.08076 1.08511 1.08657 1.11661 1.12388 1.13237 1.14217 1.14564 1.16307 1.19541 1.21691 1.21819 1.22712 1.25402 1.26038 1.26868 1.26922 1.28917 1.30085 1.30341 1.30517 1.31219 1.32196 1.32444 1.33196 1.33420 1.34068 1.35526 1.36170 1.36950 1.37148 1.37185 1.37927 1.39483 1.41462 1.42252 1.42368 1.44344 1.44641 1.46359 1.46630 1.46988 1.47312 1.48631 1.50135 1.50277 1.50687 1.51049 1.51597 1.52249 1.54798 1.55567 1.55635 1.58029 1.58768 1.59091 1.60679 1.60778 1.61005 1.62451 1.65741 1.65817 1.66739 1.66884 1.68272 1.69705 1.70165 1.70248 1.70387 1.72716 1.73553 1.75830 1.77078 1.78554 1.81941 1.82965 1.84041 1.84432 1.84776 1.85852 1.90379 1.91406 1.93326 1.94015 1.95083 1.96431 1.99431 2.00978 2.01398 2.03253 2.05043 2.06203 2.07642 2.10683 2.11817 2.13733 2.14154 2.15350 2.15918 2.20525 2.20839 2.24438 2.24770 2.25855 2.27988 2.29680 2.30760 2.32549 2.34305 2.35054 2.36336 2.36468 2.42278 2.43282 2.44000 2.45706 2.46125 2.47059 2.50556 2.51105 2.55419 2.56554 2.58418 2.59379 2.63139 2.65593 2.66398 2.68948 2.70302 2.73039 2.73251 2.75807 2.78996 2.80117 2.80863 2.81212 2.83851 2.83995 2.84434 2.85534 2.87273 2.89234 2.90147 2.92581 2.95534 2.96888 2.97194 2.97888 3.00668 3.01188 3.01450 3.03264 3.04026 3.05519 3.07870 3.08974 3.09597 3.10341 3.11696 3.13409 3.14189 3.14576 3.17943 3.19988 3.21358 3.21425 3.23828 3.23869 3.24804 3.24934 3.25579 3.26975 3.27193 3.27620 3.27966 3.30407 3.31555 3.33426 3.33545 3.34405 3.35836 3.35870 3.36797 3.41258 3.43155 3.43559 3.43759 3.43768 3.45887 3.47278 3.48401 3.48934 3.49279 3.50526 3.54116 3.55709 3.55845 3.57819 3.58977 3.59193 3.60130 3.60221 3.61979 3.62926 3.64667 3.66283 3.66662 3.66725 3.71192 3.71352 3.71398 3.73998 3.74720 3.76077 3.76579 3.78142 3.78527 3.79466 3.79946 3.81003 3.81695 3.82321 3.83233 3.83486 3.85163 3.85626 3.88649 3.90226 3.91648 3.95710 3.95833 3.96564 3.96603 3.99709 4.02555 4.04389 4.05122 4.05286 4.07073 4.07182 4.09728 4.10470 4.10838 4.12059 4.12347 4.12745 4.13780 4.17555 4.19027 4.19487 4.19638 4.20977 4.23510 4.24706 4.25838 4.26300 4.26894 4.27838 4.27986 4.30175 4.30846 4.31424 4.33626 4.34447 4.34786 4.35278 4.37070 4.38773 4.39349 4.41765 4.42614 4.44251 4.45226 4.46665 4.48552 4.48952 4.49815 4.52333 4.52718 4.53561 4.55124 4.56890 4.58829 4.59293 4.60864 4.61462 4.62539 4.62781 4.63221 4.63441 4.65607 4.66551 4.67589 4.68896 4.70662 4.72683 4.74447 4.76320 4.77148 4.78771 4.79265 4.84476 4.85659 4.86293 4.87946 4.91019 4.92490 4.93072 4.96738 4.98051 4.98127 4.99148 5.01952 5.02058 5.02613 5.05289 5.06797 5.09256 5.10736 5.11748 5.13632 5.16009 5.17387 5.17752 5.18572 5.21480 5.25104 5.25775 5.26657 5.30802 5.31628 5.36760 5.40814 5.41137 5.42985 5.44938 5.44943 5.45782 5.47449 5.54572 5.55456 5.56133 5.57783 5.58452 5.60380 5.61386 5.62134 5.62986 5.63077 5.66782 5.68463 5.68622 5.70413 5.73371 5.74408 5.81219 5.82235 5.84018 5.91873 5.92872 5.93243 5.96676 6.01000 6.88776 6.89448 7.05783 7.08812 7.23612 7.24752 7.46684 8.57291 8.60539 8.84389 9.03477 9.07604 15.82413 23.41328 23.51533 23.63341 23.65820 23.66180 23.70792 23.73490 23.86866 57.91292</array>
                  </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="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="24">B C H C H H C H H C H H C H C H H C H H C H H F</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="24">-0.100308 0.786945 -0.106328 -0.681526 0.182510 0.185422 -0.079642 0.160439 0.093688 -0.682167 0.185681 0.182746 0.787514 -0.106738 -0.683510 0.182772 0.185895 -0.080558 0.160960 0.093260 -0.682792 0.186116 0.182709 -0.353087</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.1617 1.7593 -0.0420</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">1.7672</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-60.9827 -62.4551 -61.7251</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-0.2401 -0.6588 0.1621</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">0.7383 -0.7341 -0.0042 -0.2401 -0.6588 0.1621</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-20.4718 -321.3203 -1.5273 -6.3333 -108.5342 -0.3787 -6.8395 -108.4205 -0.6659 0.0973</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-611.6982 -1680.9669 -579.7487 -32.9560 7.4363 -31.1221 -5.2039 16.8212 -4.9319 -384.9647 -194.8752 -375.0789 -0.1428 7.9604 -10.9313</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="ginc">
                     <list dictRef="g:archive">
                        <list dictRef="g:archive1">
                           <scalar dataType="xsd:string" dictRef="cc:hostname">GINC-G4NODEN11</scalar>
                           <formula concise="C 8.0 H 14.0 B 1.0 F 1.0" formalCharge="0">
                              <atomArray count="8.0 14.0 1.0 1.0" elementType="C H B F"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">G1JESUS</scalar>
                           <scalar dataType="xsd:string">09-Apr-2021</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">Title</scalar>
                        <list dictRef="cc:molecule">
                           <list type="chargemult">
                              <scalar dataType="xsd:string" dictRef="x:formalCharge">0</scalar>
                              <scalar dataType="xsd:string" dictRef="x:spinMultiplicity">1</scalar>
                           </list>
                        </list>
                        <list dictRef="g:archive.namevalue">
                           <scalar dataType="xsd:string">Version=ES64L-G09RevD.01</scalar>
                           <scalar dataType="xsd:string">HF=-438.2483404</scalar>
                           <scalar dataType="xsd:string">RMSD=7.999e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=0.063628,0.6921704,-0.0165171</scalar>
                           <scalar dataType="xsd:string">Quadrupole=0.5488805,-0.545779,-0.0031014,-0.1785421,-0.4898185,0.1204926</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C8H14B1F1)]</scalar>
                        </list>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="B" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.013372</scalar>
                           <scalar dataType="xsd:string">0.417926</scalar>
                           <scalar dataType="xsd:string">0.039897</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.59225</scalar>
                           <scalar dataType="xsd:string">1.296329</scalar>
                           <scalar dataType="xsd:string">-1.113329</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.102394</scalar>
                           <scalar dataType="xsd:string">0.70842</scalar>
                           <scalar dataType="xsd:string">-1.882433</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.633559</scalar>
                           <scalar dataType="xsd:string">2.255686</scalar>
                           <scalar dataType="xsd:string">-0.46671</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.501809</scalar>
                           <scalar dataType="xsd:string">1.654638</scalar>
                           <scalar dataType="xsd:string">-0.173103</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.997009</scalar>
                           <scalar dataType="xsd:string">2.963231</scalar>
                           <scalar dataType="xsd:string">-1.22018</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a7"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.132812</scalar>
                           <scalar dataType="xsd:string">3.034662</scalar>
                           <scalar dataType="xsd:string">0.765371</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a8"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.995222</scalar>
                           <scalar dataType="xsd:string">3.472807</scalar>
                           <scalar dataType="xsd:string">1.27704</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a9"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.527363</scalar>
                           <scalar dataType="xsd:string">3.880173</scalar>
                           <scalar dataType="xsd:string">0.441638</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a10"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.337844</scalar>
                           <scalar dataType="xsd:string">2.186496</scalar>
                           <scalar dataType="xsd:string">1.777113</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a11"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.149146</scalar>
                           <scalar dataType="xsd:string">2.847809</scalar>
                           <scalar dataType="xsd:string">2.502171</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a12"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.041911</scalar>
                           <scalar dataType="xsd:string">1.574208</scalar>
                           <scalar dataType="xsd:string">2.352186</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a13"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.719616</scalar>
                           <scalar dataType="xsd:string">1.229537</scalar>
                           <scalar dataType="xsd:string">1.153842</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a14"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.117055</scalar>
                           <scalar dataType="xsd:string">0.595142</scalar>
                           <scalar dataType="xsd:string">1.951964</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a15"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.91628</scalar>
                           <scalar dataType="xsd:string">1.950316</scalar>
                           <scalar dataType="xsd:string">0.467454</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a16"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.657897</scalar>
                           <scalar dataType="xsd:string">1.186631</scalar>
                           <scalar dataType="xsd:string">0.20682</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a17"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.406478</scalar>
                           <scalar dataType="xsd:string">2.614325</scalar>
                           <scalar dataType="xsd:string">1.187968</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a18"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.561916</scalar>
                           <scalar dataType="xsd:string">2.747974</scalar>
                           <scalar dataType="xsd:string">-0.802735</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a19"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.487974</scalar>
                           <scalar dataType="xsd:string">2.994861</scalar>
                           <scalar dataType="xsd:string">-1.330845</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a20"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.12417</scalar>
                           <scalar dataType="xsd:string">3.705096</scalar>
                           <scalar dataType="xsd:string">-0.522511</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a21"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.619521</scalar>
                           <scalar dataType="xsd:string">2.013878</scalar>
                           <scalar dataType="xsd:string">-1.776782</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a22"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.257697</scalar>
                           <scalar dataType="xsd:string">2.719678</scalar>
                           <scalar dataType="xsd:string">-2.532609</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a23"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.196413</scalar>
                           <scalar dataType="xsd:string">1.257371</scalar>
                           <scalar dataType="xsd:string">-2.321143</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a24"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.134768</scalar>
                           <scalar dataType="xsd:string">-0.922735</scalar>
                           <scalar dataType="xsd:string">0.07037</scalar>
                        </list>
                     </module>
                  </list>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
