<?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 16</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">3-Aug-2023</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">3-Jul-2019</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevC.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:nactiveatoms">
                  <scalar dataType="xsd:integer">34</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">34</scalar>
               </parameter>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(5D, 7F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">def2TZVP</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RMN15</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">def2TZVP</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">SP</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#pgfinput</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">gfprint</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scf(maxcyc=500,XQC)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">mn15/def2tzvp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">guess=read</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">geom=checkpoint</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">sp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf(smd,solvent=benzene)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">integral(grid=superfine)</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="atom"
                      formalCharge=""
                      id="mol.l202.orient"
                      spinMultiplicity="">
               <atomArray>
                  <atom elementType="P"
                        id="a1"
                        x3="-1.61079"
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                        z3="0.050023">
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                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a2"
                        x3="-0.720561"
                        y3="-0.438228"
                        z3="0.128285">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a3"
                        x3="-1.234789"
                        y3="-1.481944"
                        z3="-0.677011">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a4"
                        x3="0.427941"
                        y3="-0.685208"
                        z3="0.911897">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a5"
                        x3="-0.604935"
                        y3="-2.734854"
                        z3="-0.716894">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a6"
                        x3="-2.140696"
                        y3="-1.299069"
                        z3="-1.282971">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a7"
                        x3="1.046909"
                        y3="-1.947631"
                        z3="0.883764">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a8"
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                        z3="1.548979">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a9"
                        x3="0.537517"
                        y3="-2.971873"
                        z3="0.068635">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a10"
                        x3="-1.014557"
                        y3="-3.535407"
                        z3="-1.355018">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a11"
                        x3="1.94118"
                        y3="-2.129338"
                        z3="1.503078">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
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                  </atom>
                  <atom elementType="H"
                        id="a12"
                        x3="1.02759"
                        y3="-3.959277"
                        z3="0.048876">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a13"
                        x3="-0.779719"
                        y3="2.127093"
                        z3="1.392986">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a14"
                        x3="0.330354"
                        y3="2.980011"
                        z3="1.203123">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a15"
                        x3="-1.289443"
                        y3="1.951243"
                        z3="2.700627">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a16"
                        x3="0.915019"
                        y3="3.636953"
                        z3="2.299987">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a17"
                        x3="0.745466"
                        y3="3.130728"
                        z3="0.192182">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a18"
                        x3="-0.694634"
                        y3="2.59615"
                        z3="3.795839">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a19"
                        x3="-2.164973"
                        y3="1.294909"
                        z3="2.853959">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a20"
                        x3="0.408563"
                        y3="3.445056"
                        z3="3.59646">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a21"
                        x3="1.779846"
                        y3="4.302119"
                        z3="2.138899">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.101383"
                        y3="2.445037"
                        z3="4.809534">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a23"
                        x3="0.870955"
                        y3="3.962117"
                        z3="4.453445">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a24"
                        x3="-0.869529"
                        y3="1.940185"
                        z3="-1.455145">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a25"
                        x3="-1.415384"
                        y3="3.18238"
                        z3="-1.85741">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a26"
                        x3="0.191775"
                        y3="1.388235"
                        z3="-2.205297">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a27"
                        x3="-0.901045"
                        y3="3.867175"
                        z3="-2.967844">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a28"
                        x3="-2.252444"
                        y3="3.615721"
                        z3="-1.280249">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a29"
                        x3="0.69344"
                        y3="2.068589"
                        z3="-3.329734">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a30"
                        x3="0.635211"
                        y3="0.42227"
                        z3="-1.910489">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a31"
                        x3="0.154396"
                        y3="3.307968"
                        z3="-3.71119">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a32"
                        x3="-1.333028"
                        y3="4.837869"
                        z3="-3.262876">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a33"
                        x3="1.520902"
                        y3="1.625555"
                        z3="-3.908857">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a34"
                        x3="0.553411"
                        y3="3.838209"
                        z3="-4.591597">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray/>
               <formula concise="C18H15P"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">247.16636099999988</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9,20,31,5,7,16,18,27,29,3,4,14,15,25,26,2,13,24,1/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17,18)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3/rA:34PC3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s9;s1;s13;s13;s14;s14;s15;s15;s16s18;s16;s18;s20;s1;s24;s24;s25;s25;s26;s26;s27s29;s27;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="1">Output=PPh3_r_tzvp-sf.log</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=20</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=90GB</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">oldchk=PPh3_r</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">chk=PPh3_r_tzvp-sf</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p gfinput gfprint scf(maxcyc=500,XQC) nosymm mn15/def2tzvp guess=read</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/29=2,38=1,172=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,15=1,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=44,7=101,11=2,14=-4,24=110,25=1,30=1,70=32201,72=12,74=-73,75=-7,116=-2/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,7=500,8=3,13=1,38=6,53=12/2,8</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">PPh3</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant"
                             dataType="xsd:string"
                             dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="34">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="34">31 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="34">30.9737634 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="34">1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="34">12.9400000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /opt/software/gaussian/g16/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l301.basis" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="ernie">
                     <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                     <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                     <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                  </module>
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">34</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>
                  <scalar dataType="xsd:string" dictRef="g:misc">IExCor= 7252 DFT=T Ex+Corr=MN15 ExCW=0 ScaHFX=  0.440000</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      7 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4</scalar>
               </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>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM</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">Benzene</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">2.270600</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">2.253301</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="595">0.000000 1.843718 0.000000 2.779617 1.415018 0.000000 2.890935 1.412127 2.433945 0.000000 4.108820 2.449937 1.402887 2.814399 0.000000 2.859347 2.179329 1.105124 3.433972 2.177265 0.000000 4.183987 2.443972 2.803396 1.406280 2.431135 3.908478 0.000000 3.067416 2.185133 3.438833 1.103022 3.917356 4.350967 2.174149 0.000000 4.669838 2.829430 2.432477 2.439658 1.406568 3.434813 1.404630 3.435031 0.000000 4.950979 3.446614 2.173685 3.917058 1.102668 2.504913 3.432612 5.020023 2.180206 0.000000 5.063866 3.440170 3.906237 2.173683 3.431855 5.011300 1.102854 2.495552 2.176640 4.345357 0.000000 5.772001 3.931937 3.432557 3.438591 2.179622 4.346097 2.178103 4.343080 1.102510 2.514150 2.509587 0.000000 1.844396 2.860741 4.185346 3.098214 5.302893 4.555391 4.494358 2.593286 5.430329 6.298459 5.052981 6.489753 0.000000 2.890987 3.734173 5.088577 3.678066 6.100895 5.531480 4.989699 2.933959 6.062582 7.127660 5.365648 7.069097 1.412720 0.000000 2.780721 3.556704 4.816451 3.619371 5.840164 5.211354 4.894973 3.044063 5.873861 6.828408 5.340617 6.880020 1.414450 2.434055 0.000000 4.184027 4.898827 6.299786 4.565646 7.211918 6.821972 5.762869 3.604296 6.985558 8.277988 5.910853 7.923565 2.444273 1.405887 2.803888 0.000000 3.065821 3.858855 5.094472 3.896175 6.087286 5.488998 5.134090 3.310733 6.107392 7.066036 5.551258 7.097062 2.185270 1.103194 3.438654 2.174363 0.000000 4.109960 4.760154 6.076924 4.510500 6.985157 6.561870 5.670900 3.686434 6.812718 8.014342 5.876606 7.744638 2.449685 2.814272 1.403279 2.431425 3.917398 0.000000 2.860715 3.538274 4.587363 3.796797 5.605684 4.882980 4.971108 3.487889 5.767747 6.509293 5.514601 6.757767 2.178508 3.433873 1.104915 3.908761 4.350396 2.177674 0.000000 4.670199 5.327574 6.725956 4.926087 7.604176 7.267344 6.070196 3.935676 7.323875 8.675787 6.148579 8.233632 2.829195 2.439354 2.432533 1.405051 3.435320 1.406213 3.434753 0.000000 5.063819 5.724114 7.104418 5.310990 7.960008 7.645465 6.416535 4.332892 7.664223 9.024575 6.464822 8.554808 3.440712 2.173632 3.906749 1.102869 2.496359 3.432030 5.011608 2.177030 0.000000 4.952463 5.511110 6.748419 5.227700 7.590728 7.226142 6.270755 4.456831 7.382752 8.589235 6.412078 8.259034 3.446355 3.916921 2.174095 3.432838 5.020057 1.102660 2.505653 2.179799 4.345403 0.000000 5.772382 6.372045 7.771327 5.859732 8.588369 8.346052 6.906425 4.822500 8.210843 9.669864 6.852435 9.064946 3.931723 3.438223 3.432681 2.178315 4.343423 2.179307 4.346172 1.102534 2.509743 2.513652 0.000000 1.844283 2.861169 3.528438 3.765502 4.740361 3.484003 4.925276 3.912468 5.331979 5.478428 5.763001 6.376895 2.855669 3.096343 4.176948 4.490506 2.596013 5.294687 4.545649 5.423732 5.051244 6.289264 6.482972 0.000000 2.776392 4.187429 4.814756 5.101485 6.080400 4.575963 6.316165 5.112777 6.737826 6.748461 7.125570 7.784942 3.476028 3.529223 4.723057 4.787626 2.978719 5.729081 5.130441 5.756777 5.237728 6.714940 6.757383 1.415212 0.000000 2.895068 3.100633 3.550869 3.751245 4.455329 3.675963 4.626181 4.018686 4.929589 5.140084 5.402387 5.863085 3.799651 3.764343 5.155490 5.086983 3.015088 6.185338 5.582028 6.159375 5.466692 7.210891 7.171122 1.412000 2.433710 0.000000 4.106353 5.306136 5.828583 6.127217 6.981493 5.573653 7.241642 6.127870 7.619858 7.577092 8.001597 8.606601 4.696748 4.438509 5.996100 5.576839 3.638559 6.885166 6.489025 6.706963 5.784044 7.908870 7.630499 2.450009 1.402338 2.814405 0.000000 2.853287 4.556877 5.233135 5.521590 6.584942 4.916060 6.820526 5.465892 7.280094 7.257864 7.638003 8.360968 3.395749 3.638970 4.420999 4.780310 3.375017 5.406751 4.741887 5.558091 5.331142 6.307210 6.538414 2.179556 1.105246 3.433892 2.176577 0.000000 4.187094 4.499047 4.833352 5.064121 5.620123 4.854141 5.831683 5.258470 6.081076 6.182357 6.521926 6.918224 4.947495 4.637813 6.349083 5.848301 3.678959 7.278658 6.856177 7.067389 6.006237 8.343309 8.012168 2.444063 2.802750 1.406737 2.430691 3.907971 0.000000 3.074715 2.595221 2.940136 3.038969 3.595840 3.326025 3.686974 3.479686 3.930226 4.323597 4.457432 4.815706 3.977612 4.040985 5.225366 5.304771 3.430616 6.249514 5.594863 6.286104 5.723719 7.229528 7.285997 2.185326 3.438891 1.103012 3.917328 4.351309 2.174400 0.000000 4.670610 5.435173 5.837751 6.115000 6.786612 5.691088 7.037862 6.193434 7.339637 7.331425 7.742447 8.228816 5.321621 4.928386 6.710945 6.068033 3.951846 7.588347 7.247969 7.313354 6.152557 8.655887 8.222082 2.830017 2.432382 2.440182 1.406852 3.434686 1.404328 3.435253 0.000000 4.947044 6.301769 6.829084 7.143817 8.022362 6.498797 8.300707 7.087343 8.694250 8.593783 9.054100 9.691749 5.415857 5.115039 6.625548 6.118934 4.378572 7.433593 7.117609 7.212736 6.257490 8.422774 8.072552 3.446636 2.173191 3.917075 1.102679 2.503954 3.432194 5.020004 2.180370 0.000000 5.067912 5.057852 5.262624 5.456542 5.806977 5.371778 5.996794 5.703801 6.158233 6.291755 6.600371 6.862751 5.801201 5.420727 7.189533 6.554582 4.436818 8.075456 7.709129 7.802414 6.618639 9.141021 8.706896 3.440037 3.905625 2.173710 3.431645 5.010836 1.102885 2.495159 2.176447 4.345246 0.000000 5.772705 6.495245 6.842929 7.124991 7.717529 6.678087 7.981169 7.188421 8.251984 8.203913 8.641909 9.086233 6.365563 5.862170 7.754566 6.903999 4.839624 8.570263 8.324319 8.198771 6.857035 9.646790 9.051463 3.932504 3.432498 3.439125 2.180105 4.345958 2.177949 4.343233 1.102490 2.514652 2.509584 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.3570500 0.3546282 0.2101897</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= 7 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= 769 769 769 769 769 MxSgAt= 34 MxSgA2= 34.</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="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">-1035.10645911492</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.22433492574</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.117875810816</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57060020092</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.346265275185</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57579865775</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.005198456827</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57596562853</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000166970777</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57599606195</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000030433424</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600549085</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000009428901</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600576013</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000269279</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600577440</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000014265</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600578110</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000006698</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600578123</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000130</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600578127</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000043</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1035.57600578130</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000031</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">-1035.57600578</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">13</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.027700286559e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-5.225384987504e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">1.759233903898e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NGot= 12079595520 LenX= 12078357286 LenY= 12077748106</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">PT7702.300S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Thu Aug  3 06:36:10 2023</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="64">-10.05620 -10.05570 -10.05566 -10.05546 -10.05543 -10.05521 -10.05516 -10.05474 -10.05456 -10.05448 -10.05423 -10.05412 -10.05405 -10.05372 -6.37089 -4.72881 -4.72880 -4.72153 -0.90427 -0.89584 -0.89554 -0.81284 -0.78810 -0.78794 -0.78609 -0.78078 -0.78064 -0.68598 -0.64645 -0.64582 -0.64292 -0.63278 -0.63271 -0.59503 -0.55798 -0.55769 -0.53079 -0.49458 -0.49414 -0.49217 -0.48525 -0.48520 -0.47687 -0.45930 -0.45845 -0.45820 -0.44476 -0.44399 -0.41590 -0.41230 -0.41156 -0.40064 -0.38038 -0.38022 -0.37956 -0.35796 -0.35755 -0.31794 -0.29747 -0.29558 -0.29449 -0.28723 -0.28695 -0.24806</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="616">-0.01111 -0.00952 -0.00922 0.00799 0.01360 0.01406 0.07085 0.07298 0.08505 0.10200 0.10220 0.11689 0.11896 0.11991 0.12088 0.13837 0.13872 0.14738 0.15210 0.15255 0.15273 0.16084 0.16620 0.16675 0.18393 0.18482 0.18993 0.20065 0.20563 0.20745 0.21311 0.22802 0.23018 0.23655 0.24039 0.24156 0.24610 0.25325 0.25359 0.25495 0.25630 0.25850 0.27098 0.27422 0.27509 0.28014 0.28344 0.28785 0.28842 0.30092 0.30235 0.30391 0.31205 0.31326 0.32128 0.32359 0.32462 0.33230 0.35436 0.35605 0.36042 0.36218 0.36319 0.37267 0.38008 0.38114 0.38385 0.39730 0.39907 0.40751 0.42030 0.42093 0.42238 0.42909 0.43995 0.44117 0.44692 0.44928 0.45207 0.45992 0.46191 0.46342 0.47127 0.47411 0.47666 0.47916 0.48049 0.48816 0.48938 0.49074 0.49809 0.49909 0.50005 0.51051 0.52228 0.52354 0.52479 0.52772 0.52931 0.53300 0.53596 0.54091 0.54266 0.55886 0.56140 0.56831 0.57771 0.58110 0.59190 0.59600 0.60485 0.60902 0.63384 0.63520 0.64168 0.65230 0.65609 0.66154 0.67609 0.68185 0.68227 0.68892 0.70012 0.70214 0.70658 0.71073 0.71301 0.71910 0.72734 0.73003 0.73516 0.73818 0.73874 0.75165 0.75324 0.76231 0.76460 0.77066 0.79078 0.79936 0.80583 0.80948 0.80969 0.81450 0.82133 0.83098 0.83640 0.84209 0.84811 0.85857 0.85918 0.87029 0.87722 0.89336 0.89999 0.90119 0.91805 0.91924 0.92312 0.94366 0.94461 0.94557 0.96054 0.96441 0.98308 1.01114 1.01302 1.02123 1.04560 1.04715 1.04819 1.05712 1.06684 1.07018 1.07045 1.09142 1.09324 1.09669 1.10904 1.10949 1.12341 1.12616 1.13744 1.15978 1.16329 1.16745 1.17909 1.18734 1.19049 1.20072 1.21456 1.21799 1.22531 1.23635 1.23680 1.24162 1.24697 1.24907 1.25899 1.26050 1.26198 1.28100 1.28194 1.29394 1.29808 1.30212 1.31189 1.31818 1.32272 1.32378 1.33909 1.34217 1.34286 1.34914 1.35451 1.41081 1.41343 1.41861 1.42513 1.42711 1.42878 1.44411 1.46358 1.46867 1.46977 1.47477 1.48417 1.48537 1.49306 1.49510 1.49726 1.51113 1.51671 1.51835 1.52908 1.53181 1.53449 1.56266 1.56408 1.56599 1.57896 1.59033 1.59239 1.59753 1.60400 1.60597 1.63856 1.64008 1.65058 1.65343 1.65535 1.65853 1.66107 1.66446 1.67090 1.68410 1.69516 1.69731 1.69824 1.70449 1.70571 1.71664 1.71902 1.72751 1.72817 1.73056 1.74275 1.77461 1.77542 1.78052 1.79036 1.79574 1.79719 1.80067 1.80393 1.82073 1.84158 1.84582 1.84661 1.86608 1.89851 1.90431 1.90590 1.90891 1.91181 1.92484 1.93145 1.93477 1.97068 1.98520 1.99357 1.99662 2.01342 2.02133 2.02790 2.04001 2.04833 2.05033 2.06510 2.06666 2.07310 2.08212 2.09562 2.09676 2.11019 2.11325 2.13302 2.13398 2.13628 2.14065 2.14456 2.14712 2.18896 2.20023 2.20080 2.20343 2.20749 2.20979 2.21427 2.27443 2.27980 2.31222 2.31563 2.31656 2.33492 2.36846 2.37069 2.37353 2.38741 2.39159 2.39587 2.42077 2.42539 2.46459 2.47002 2.47198 2.49509 2.50165 2.50248 2.51069 2.53298 2.53540 2.53840 2.55357 2.55374 2.55558 2.56060 2.56135 2.56696 2.57801 2.57872 2.58329 2.58953 2.59325 2.61045 2.61564 2.61896 2.62218 2.62642 2.62983 2.63194 2.63488 2.63589 2.63940 2.64443 2.64517 2.65124 2.65958 2.66498 2.69223 2.69446 2.69682 2.70608 2.70849 2.71314 2.72296 2.72520 2.72874 2.73539 2.73679 2.74875 2.77116 2.77137 2.77526 2.79239 2.79333 2.79716 2.80956 2.81288 2.81709 2.82260 2.82367 2.82687 2.83326 2.83640 2.84265 2.86098 2.86453 2.86741 2.87697 2.87994 2.88038 2.88437 2.92039 2.93662 2.94180 2.96565 2.97178 2.97401 2.99183 2.99345 3.01751 3.02502 3.03046 3.03168 3.03454 3.03802 3.03988 3.04658 3.04949 3.05130 3.06765 3.06982 3.07037 3.08242 3.08580 3.09060 3.09162 3.09375 3.10970 3.11271 3.11421 3.13964 3.14413 3.15193 3.15233 3.16662 3.16788 3.16926 3.18798 3.18958 3.19555 3.19914 3.20198 3.20958 3.21582 3.21671 3.21915 3.23785 3.24178 3.24692 3.25573 3.26085 3.26267 3.27324 3.27452 3.27922 3.28472 3.28633 3.29615 3.30037 3.30231 3.30502 3.31536 3.31752 3.33545 3.33827 3.33980 3.36702 3.37319 3.37529 3.38650 3.38967 3.39001 3.39885 3.40376 3.40835 3.42266 3.43005 3.43311 3.44051 3.45009 3.45177 3.46250 3.47016 3.47412 3.47814 3.49322 3.49583 3.57246 3.57393 3.57796 3.58594 3.58891 3.59792 3.61170 3.61207 3.62018 3.63545 3.63734 3.63789 3.73934 3.74359 3.75906 3.79045 3.79532 3.79565 3.80659 3.80829 3.81028 3.86949 3.87297 3.87336 3.88966 3.89615 3.89871 3.92535 3.93365 3.93396 3.96693 3.97530 3.97679 3.98255 3.99755 3.99859 4.02279 4.02667 4.03040 4.03449 4.03731 4.03953 4.03985 4.04064 4.04984 4.06248 4.06661 4.06914 4.07095 4.07780 4.07982 4.09929 4.10998 4.11048 4.13287 4.13639 4.14957 4.16971 4.17639 4.17799 4.19148 4.19601 4.23574 4.41840 4.42023 4.42186 4.43346 4.44897 4.45038 4.45151 4.45603 4.45704 4.50131 4.51576 4.51769 4.53470 4.54157 4.54785 4.63795 4.63899 4.64122 4.69853 4.72657 4.72757 4.73081 4.73309 4.73828 4.89870 4.90273 4.90411 4.91099 4.91192 4.91232 5.03107 5.04479 5.04591 5.10702 5.10878 5.11052 5.15628 5.18854 5.18966 5.35476 5.35707 5.36895 7.47901 7.66564 7.66813 15.63502 21.24447 21.25028 21.32683 21.66778 21.67742 21.67785 21.69386 21.70122 21.70456 21.75955 21.76860 21.78216 21.83418 21.83806 21.84104 22.10596 22.16183 22.16324</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="34">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="34">P C C C C H C H C H H H C C C C H C H C H H H C C C C H C H C H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="34">0.190521 -0.104775 -0.154637 -0.115517 -0.193406 0.172078 -0.215289 0.188185 -0.135253 0.166200 0.165600 0.165452 -0.114654 -0.128252 -0.139744 -0.206341 0.189518 -0.196182 0.169840 -0.136488 0.166022 0.166217 0.165552 -0.098886 -0.155999 -0.122551 -0.192143 0.171658 -0.212380 0.187291 -0.138291 0.166107 0.165375 0.165173</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">1.7918 0.0751 0.0060</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">1.7934</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-119.9502 -108.2119 -108.6128</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">1.7724 0.0721 0.5800</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-7.6918 4.0464 3.6455 1.7724 0.0721 0.5800</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">136.5158 -429.5316 19.8854 53.7546 -147.8006 1.8101 51.7076 -101.2527 -24.0064 1.0007</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-902.6365 -4353.2667 -3190.5600 218.3146 -38.9474 206.6648 -90.2514 -140.4388 23.5035 -865.3044 -697.7810 -1158.2502 -0.3570 84.5123 111.5670</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-NODE033</scalar>
                           <formula concise="C 18.0 H 15.0 P 1.0" formalCharge="0">
                              <atomArray count="18.0 15.0 1.0" elementType="C H P"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">QSB14101</scalar>
                           <scalar dataType="xsd:date">2023-08-03T00:00:00.000</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">PPh3</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-G16RevC.01</scalar>
                           <scalar dataType="xsd:string">HF=-1035.5760058</scalar>
                           <scalar dataType="xsd:string">RMSD=5.083e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=0.7049619,0.0295567,0.0023586</scalar>
                           <scalar dataType="xsd:string">Quadrupole=-5.7187019,3.0083809,2.710321,1.3177663,0.0536054,0.4311886</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C18H15P1)]</scalar>
                        </list>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="P" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.6107903879</scalar>
                           <scalar dataType="xsd:string">1.174429062</scalar>
                           <scalar dataType="xsd:string">0.0500225289</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.7205608069</scalar>
                           <scalar dataType="xsd:string">-0.4382275338</scalar>
                           <scalar dataType="xsd:string">0.1282849955</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.2347892259</scalar>
                           <scalar dataType="xsd:string">-1.4819439597</scalar>
                           <scalar dataType="xsd:string">-0.6770105914</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.4279411383</scalar>
                           <scalar dataType="xsd:string">-0.6852083425</scalar>
                           <scalar dataType="xsd:string">0.9118968299</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.6049354057</scalar>
                           <scalar dataType="xsd:string">-2.7348543726</scalar>
                           <scalar dataType="xsd:string">-0.7168942097</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.1406960205</scalar>
                           <scalar dataType="xsd:string">-1.2990686087</scalar>
                           <scalar dataType="xsd:string">-1.2829711562</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a7"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.0469094706</scalar>
                           <scalar dataType="xsd:string">-1.9476308212</scalar>
                           <scalar dataType="xsd:string">0.8837637906</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a8"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.8457053044</scalar>
                           <scalar dataType="xsd:string">0.1124488896</scalar>
                           <scalar dataType="xsd:string">1.5489787042</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a9"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.5375172885</scalar>
                           <scalar dataType="xsd:string">-2.9718726778</scalar>
                           <scalar dataType="xsd:string">0.068635201</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a10"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.014557495</scalar>
                           <scalar dataType="xsd:string">-3.5354073678</scalar>
                           <scalar dataType="xsd:string">-1.3550181266</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a11"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.9411797089</scalar>
                           <scalar dataType="xsd:string">-2.1293375596</scalar>
                           <scalar dataType="xsd:string">1.5030784577</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a12"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.027590263</scalar>
                           <scalar dataType="xsd:string">-3.9592768663</scalar>
                           <scalar dataType="xsd:string">0.0488756801</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a13"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.7797194839</scalar>
                           <scalar dataType="xsd:string">2.1270930683</scalar>
                           <scalar dataType="xsd:string">1.3929855699</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a14"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.3303535545</scalar>
                           <scalar dataType="xsd:string">2.9800108506</scalar>
                           <scalar dataType="xsd:string">1.2031225623</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a15"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.2894432528</scalar>
                           <scalar dataType="xsd:string">1.9512432656</scalar>
                           <scalar dataType="xsd:string">2.7006272831</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a16"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.9150193655</scalar>
                           <scalar dataType="xsd:string">3.6369534517</scalar>
                           <scalar dataType="xsd:string">2.2999866361</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a17"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.7454663566</scalar>
                           <scalar dataType="xsd:string">3.1307275547</scalar>
                           <scalar dataType="xsd:string">0.1921815139</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a18"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.6946344167</scalar>
                           <scalar dataType="xsd:string">2.5961503517</scalar>
                           <scalar dataType="xsd:string">3.7958386102</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a19"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.1649727888</scalar>
                           <scalar dataType="xsd:string">1.2949089134</scalar>
                           <scalar dataType="xsd:string">2.8539585241</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a20"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.4085629558</scalar>
                           <scalar dataType="xsd:string">3.4450556138</scalar>
                           <scalar dataType="xsd:string">3.5964604807</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a21"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.7798460728</scalar>
                           <scalar dataType="xsd:string">4.3021185156</scalar>
                           <scalar dataType="xsd:string">2.1388987155</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a22"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.1013833854</scalar>
                           <scalar dataType="xsd:string">2.4450372968</scalar>
                           <scalar dataType="xsd:string">4.8095344022</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a23"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.8709549562</scalar>
                           <scalar dataType="xsd:string">3.962116798</scalar>
                           <scalar dataType="xsd:string">4.453444838</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a24"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.8695290347</scalar>
                           <scalar dataType="xsd:string">1.9401851021</scalar>
                           <scalar dataType="xsd:string">-1.4551448447</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a25"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.415383877</scalar>
                           <scalar dataType="xsd:string">3.1823802858</scalar>
                           <scalar dataType="xsd:string">-1.8574099582</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a26"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.1917750081</scalar>
                           <scalar dataType="xsd:string">1.3882350301</scalar>
                           <scalar dataType="xsd:string">-2.2052969593</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a27"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.9010450845</scalar>
                           <scalar dataType="xsd:string">3.8671752524</scalar>
                           <scalar dataType="xsd:string">-2.9678436206</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a28"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.2524444121</scalar>
                           <scalar dataType="xsd:string">3.6157208267</scalar>
                           <scalar dataType="xsd:string">-1.2802488851</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a29"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.693439688</scalar>
                           <scalar dataType="xsd:string">2.068588923</scalar>
                           <scalar dataType="xsd:string">-3.3297344044</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a30"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.6352111668</scalar>
                           <scalar dataType="xsd:string">0.4222696707</scalar>
                           <scalar dataType="xsd:string">-1.9104893169</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a31"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.1543961997</scalar>
                           <scalar dataType="xsd:string">3.3079683788</scalar>
                           <scalar dataType="xsd:string">-3.7111900731</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a32"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.3330283087</scalar>
                           <scalar dataType="xsd:string">4.8378692688</scalar>
                           <scalar dataType="xsd:string">-3.26287605</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a33"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.5209015039</scalar>
                           <scalar dataType="xsd:string">1.6255554765</scalar>
                           <scalar dataType="xsd:string">-3.9088566619</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a34"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.553410645</scalar>
                           <scalar dataType="xsd:string">3.8382091434</scalar>
                           <scalar dataType="xsd:string">-4.5915974858</scalar>
                        </list>
                     </module>
                  </list>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
