<?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">12-Apr-2023</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">24-Apr-2013</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">EM64L-G09RevD.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">GenECP</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">nosymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">b3lyp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">genecp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(pcm,solvent=dichloromethane)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">empiricaldispersion=gd3</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scf=(xqc,maxcyc=1024)</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="1"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="0.55872"
                        y3="0.27239"
                        z3="-1.41159"/>
                  <atom elementType="C"
                        id="a2"
                        x3="0.15959"
                        y3="-1.11036"
                        z3="-1.52036"/>
                  <atom elementType="C"
                        id="a3"
                        x3="0.68443"
                        y3="-3.31163"
                        z3="-0.65643"/>
                  <atom elementType="H"
                        id="a4"
                        x3="1.22155"
                        y3="-3.64901"
                        z3="0.23216"/>
                  <atom elementType="H"
                        id="a5"
                        x3="0.77347"
                        y3="-4.08883"
                        z3="-1.42184"/>
                  <atom elementType="C"
                        id="a6"
                        x3="1.23181"
                        y3="-2.01247"
                        z3="-1.20281"/>
                  <atom elementType="H"
                        id="a7"
                        x3="2.17101"
                        y3="-2.00895"
                        z3="-1.74786"/>
                  <atom elementType="C"
                        id="a8"
                        x3="1.26338"
                        y3="-0.63559"
                        z3="-0.23444"/>
                  <atom elementType="C"
                        id="a9"
                        x3="-1.15273"
                        y3="-1.71208"
                        z3="-1.12543"/>
                  <atom elementType="H"
                        id="a10"
                        x3="-1.65768"
                        y3="-1.98146"
                        z3="-2.06501"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-1.80619"
                        y3="-1.01567"
                        z3="-0.59592"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-0.81463"
                        y3="-3.00786"
                        z3="-0.33452"/>
                  <atom elementType="O"
                        id="a13"
                        x3="-2.32238"
                        y3="-2.65889"
                        z3="1.44683"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.4830"
                        y3="-5.23387"
                        z3="0.02356"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-2.66227"
                        y3="-2.38829"
                        z3="2.82742"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-2.23469"
                        y3="-1.43162"
                        z3="3.13661"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-3.75015"
                        y3="-2.35404"
                        z3="2.85464"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.28177"
                        y3="-3.1863"
                        z3="3.4687"/>
                  <atom elementType="C"
                        id="a19"
                        x3="-2.24131"
                        y3="-6.42803"
                        z3="-0.27937"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-3.31096"
                        y3="-6.22119"
                        z3="-0.1989"/>
                  <atom elementType="H"
                        id="a21"
                        x3="-2.00806"
                        y3="-6.77419"
                        z3="-1.28887"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-1.93194"
                        y3="-7.16223"
                        z3="0.46289"/>
                  <atom elementType="H"
                        id="a23"
                        x3="1.39987"
                        y3="0.53487"
                        z3="-2.05544"/>
                  <atom elementType="C"
                        id="a24"
                        x3="-1.01891"
                        y3="-2.75528"
                        z3="1.16803"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-1.70467"
                        y3="-4.17871"
                        z3="-0.76751"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-2.46581"
                        y3="-4.16444"
                        z3="-1.71064"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-0.12792"
                        y3="-2.61303"
                        z3="1.98079"/>
                  <atom elementType="H"
                        id="a28"
                        x3="0.65464"
                        y3="-0.74773"
                        z3="0.6551"/>
                  <atom elementType="C"
                        id="a29"
                        x3="2.68486"
                        y3="-0.26423"
                        z3="0.11944"/>
                  <atom elementType="C"
                        id="a30"
                        x3="3.03924"
                        y3="-0.37035"
                        z3="1.46794"/>
                  <atom elementType="C"
                        id="a31"
                        x3="3.65631"
                        y3="0.14313"
                        z3="-0.80536"/>
                  <atom elementType="C"
                        id="a32"
                        x3="4.33002"
                        y3="-0.05903"
                        z3="1.90188"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.30431"
                        y3="-0.70644"
                        z3="2.19412"/>
                  <atom elementType="C"
                        id="a34"
                        x3="4.94295"
                        y3="0.45182"
                        z3="-0.38583"/>
                  <atom elementType="H"
                        id="a35"
                        x3="3.42269"
                        y3="0.21855"
                        z3="-1.86343"/>
                  <atom elementType="C"
                        id="a36"
                        x3="5.29189"
                        y3="0.3574"
                        z3="0.97229"/>
                  <atom elementType="H"
                        id="a37"
                        x3="4.56696"
                        y3="-0.14749"
                        z3="2.9552"/>
                  <atom elementType="H"
                        id="a38"
                        x3="5.69885"
                        y3="0.77064"
                        z3="-1.09605"/>
                  <atom elementType="O"
                        id="a39"
                        x3="6.57457"
                        y3="0.68692"
                        z3="1.27534"/>
                  <atom elementType="C"
                        id="a40"
                        x3="6.99219"
                        y3="0.60625"
                        z3="2.63752"/>
                  <atom elementType="H"
                        id="a41"
                        x3="8.03892"
                        y3="0.91284"
                        z3="2.64614"/>
                  <atom elementType="H"
                        id="a42"
                        x3="6.40833"
                        y3="1.28251"
                        z3="3.27416"/>
                  <atom elementType="H"
                        id="a43"
                        x3="6.90871"
                        y3="-0.41842"
                        z3="3.02027"/>
                  <atom elementType="Au"
                        id="a44"
                        x3="-0.7309"
                        y3="1.84243"
                        z3="-0.94486"/>
                  <atom elementType="P"
                        id="a45"
                        x3="-2.14165"
                        y3="3.63631"
                        z3="-0.39979"/>
                  <atom elementType="C"
                        id="a46"
                        x3="-1.62766"
                        y3="5.24322"
                        z3="-1.12553"/>
                  <atom elementType="C"
                        id="a47"
                        x3="-3.88149"
                        y3="3.41894"
                        z3="-0.94709"/>
                  <atom elementType="C"
                        id="a48"
                        x3="-2.26596"
                        y3="3.96321"
                        z3="1.40335"/>
                  <atom elementType="H"
                        id="a49"
                        x3="-1.6102"
                        y3="5.16141"
                        z3="-2.21603"/>
                  <atom elementType="H"
                        id="a50"
                        x3="-2.32444"
                        y3="6.0351"
                        z3="-0.83154"/>
                  <atom elementType="H"
                        id="a51"
                        x3="-0.62218"
                        y3="5.49496"
                        z3="-0.77628"/>
                  <atom elementType="H"
                        id="a52"
                        x3="-3.90975"
                        y3="3.29492"
                        z3="-2.03339"/>
                  <atom elementType="H"
                        id="a53"
                        x3="-4.47934"
                        y3="4.29156"
                        z3="-0.66462"/>
                  <atom elementType="H"
                        id="a54"
                        x3="-4.30221"
                        y3="2.52374"
                        z3="-0.48012"/>
                  <atom elementType="H"
                        id="a55"
                        x3="-2.94482"
                        y3="4.80093"
                        z3="1.59326"/>
                  <atom elementType="H"
                        id="a56"
                        x3="-2.64132"
                        y3="3.06976"
                        z3="1.91043"/>
                  <atom elementType="H"
                        id="a57"
                        x3="-1.27474"
                        y3="4.20162"
                        z3="1.79933"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a37" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a47 a54" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a56" order="S"/>
                  <bond atomRefs2="a48 a57" order="S"/>
               </bondArray>
               <formula concise="C21H29AuO5P"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">560.162011</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C18H20O5.C3H9P.Au/c1-21-12-6-4-11(5-7-12)18-10-17(18)9-16(8-13(17)18,14(19)22-2)15(20)23-3;1-4(2)3;/h4-7,10,13,18H,8-9H2,1-3H3;1-3H3;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:40,15,19,30,31,32,34,3,9,1,29,36,6,24,25,12,2,8,27,26,39,13,14;46,47,48,45;44/E:(2,3)(4,5)(6,7)(14,15)(19,20)(22,23);(1,2,3);/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,14.3,15.3,18.5,19.1,20.1;;/rA:57CCCHHCHC5CHHCOOCHHHCHHHHC3C3O1O1HC3C3C3C3HC3HC3HHOCHHHAuP4CCCHHHHHHHHH/rB:s1;;s3;s3;s2s3;s6;s1s2s6;s2;s9;s9;s3s9;;;s13;s15;s15;s15;s14;s19;s19;s19;s1;s12s13;s12s14;s25;s24;s8;s8;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;s39;s40;s40;s40;s1;s44;s45;s45;s45;s46;s46;s46;s47;s47;s47;s48;s48;s48;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g09</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-32117.inp" -scrdir="/scratch/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=12</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=22GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldis</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=1,17=8,25=1,30=1,70=2201,72=9,74=-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=2,7=1024,8=3,13=1,38=5,53=9/2,8</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">single point</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="57">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="57">12 12 12 1 1 12 1 12 12 1 1 12 16 16 12 1 1 1 12 1 1 1 1 12 12 16 16 1 12 12 12 12 1 12 1 12 1 1 16 12 1 1 1 197 31 12 12 12 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="57">12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 196.9666000 30.9737634 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="57">0 0 0 1 1 0 1 0 0 1 1 0 0 0 0 1 1 1 0 1 1 1 1 0 0 0 0 1 0 0 0 0 1 0 1 0 1 1 0 0 1 1 1 3 1 0 0 0 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="57">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /mnt/data/applications/G09/g09/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="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.basis2">
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(5D, 7F)</scalar>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="56">1 2 3 6 8 9 12 15 19 24 25 29 30 31 32 34 36 40 46 47 48 4 5 7 10 11 16 17 18 20 21 22 23 28 33 35 37 38 41 42 43 49 50 51 52 53 54 55 56 57 45 13 14 26 27 39</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">6-311+G(d,p)</scalar>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">44</array>
                        <scalar dataType="xsd:string" dictRef="cc:basis">SDD</scalar>
                     </module>
                     <module cmlx:templateRef="pseudopot">
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">2</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">3</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">4</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">5</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">6</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">7</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">8</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">9</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">10</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">11</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">12</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">13</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">8</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">14</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">8</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">15</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">16</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">17</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">18</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">19</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">20</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">21</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">22</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">23</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">24</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">25</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">26</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">8</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">27</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">8</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">28</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">29</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">30</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">31</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">32</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">33</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">34</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">35</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">36</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">37</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">38</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">39</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">8</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">40</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">41</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">42</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">43</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">44</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">79</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:valelectrons">19</scalar>
                           <module cmlx:templateRef="header">
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">G and up</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="1">2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="1">1.0000000</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="1">0.00000000</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="1">0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">S - G</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">13.2051000 6.6025500</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">426.84667900 37.00708300</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">P - G</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">10.4520200 5.2260100</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">261.19958000 26.96249600</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">D - G</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">7.8511000 3.9255500</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">124.79066600 16.30072600</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                              <module cmlx:templateRef="params">
                                 <scalar dataType="xsd:string" dictRef="cc:angmomentum">F - G</scalar>
                                 <array dataType="xsd:integer" dictRef="g:powerofr" size="2">2 2</array>
                                 <array dataType="xsd:double" dictRef="cc:basisexponent" size="2">4.7898200 2.3949100</array>
                                 <array dataType="xsd:double" dictRef="cc:expcoeff" size="2">30.49008900 5.17107400</array>
                                 <array dataType="xsd:double" dictRef="g:socoeff" size="2">0.00000000 0.00000000</array>
                              </module>
                           </module>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">45</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">15</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">46</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">47</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">48</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">49</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">50</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">51</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">52</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">53</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">54</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">55</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">56</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">57</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                     </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=      0 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">57</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">57</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">57</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">-0.0661313798</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">UFF</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">Dichloromethane</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">8.930000</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">2.028346</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="1"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="C"
                                 id="a1"
                                 x3="0.558719"
                                 y3="0.272394"
                                 z3="-1.411585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="0.159593"
                                 y3="-1.110359"
                                 z3="-1.520359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="0.684434"
                                 y3="-3.311626"
                                 z3="-0.656426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a4"
                                 x3="1.221545"
                                 y3="-3.649006"
                                 z3="0.23216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a5"
                                 x3="0.773468"
                                 y3="-4.088832"
                                 z3="-1.421837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="1.231807"
                                 y3="-2.012471"
                                 z3="-1.202807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="2.171008"
                                 y3="-2.008952"
                                 z3="-1.747856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="1.26338"
                                 y3="-0.635594"
                                 z3="-0.234439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-1.152726"
                                 y3="-1.712084"
                                 z3="-1.125429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="-1.657678"
                                 y3="-1.981464"
                                 z3="-2.06501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-1.80619"
                                 y3="-1.015667"
                                 z3="-0.595915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-0.814626"
                                 y3="-3.007857"
                                 z3="-0.334519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a13"
                                 x3="-2.322381"
                                 y3="-2.658885"
                                 z3="1.446825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a14"
                                 x3="-1.482997"
                                 y3="-5.233871"
                                 z3="0.023562">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-2.662271"
                                 y3="-2.388294"
                                 z3="2.827415">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-2.234693"
                                 y3="-1.431624"
                                 z3="3.136607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-3.750151"
                                 y3="-2.354044"
                                 z3="2.854635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-2.281765"
                                 y3="-3.186295"
                                 z3="3.468696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="-2.241309"
                                 y3="-6.428031"
                                 z3="-0.279367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-3.310964"
                                 y3="-6.221195"
                                 z3="-0.198897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="-2.008062"
                                 y3="-6.774192"
                                 z3="-1.288873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-1.931936"
                                 y3="-7.162226"
                                 z3="0.462891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="1.399871"
                                 y3="0.534867"
                                 z3="-2.055437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a24"
                                 x3="-1.018906"
                                 y3="-2.755279"
                                 z3="1.168028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-1.704671"
                                 y3="-4.178706"
                                 z3="-0.767511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a26"
                                 x3="-2.465809"
                                 y3="-4.164442"
                                 z3="-1.710643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a27"
                                 x3="-0.127915"
                                 y3="-2.613029"
                                 z3="1.980794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="0.654642"
                                 y3="-0.747734"
                                 z3="0.655103">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a29"
                                 x3="2.684863"
                                 y3="-0.264232"
                                 z3="0.119435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a30"
                                 x3="3.039239"
                                 y3="-0.370348"
                                 z3="1.467938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a31"
                                 x3="3.656305"
                                 y3="0.143131"
                                 z3="-0.805358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="4.330019"
                                 y3="-0.059029"
                                 z3="1.901878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.304309"
                                 y3="-0.706441"
                                 z3="2.194117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a34"
                                 x3="4.942953"
                                 y3="0.451818"
                                 z3="-0.385831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="3.422692"
                                 y3="0.21855"
                                 z3="-1.863433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="5.29189"
                                 y3="0.357401"
                                 z3="0.972293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="4.566963"
                                 y3="-0.147486"
                                 z3="2.955201">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="5.698849"
                                 y3="0.77064"
                                 z3="-1.096045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a39"
                                 x3="6.574567"
                                 y3="0.686921"
                                 z3="1.275341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a40"
                                 x3="6.992186"
                                 y3="0.606252"
                                 z3="2.637517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="8.038919"
                                 y3="0.912842"
                                 z3="2.646139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="6.408332"
                                 y3="1.282512"
                                 z3="3.274165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a43"
                                 x3="6.908712"
                                 y3="-0.418422"
                                 z3="3.020272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Au"
                                 id="a44"
                                 x3="-0.730898"
                                 y3="1.842431"
                                 z3="-0.944861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="P"
                                 id="a45"
                                 x3="-2.141651"
                                 y3="3.636313"
                                 z3="-0.399788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a46"
                                 x3="-1.627658"
                                 y3="5.243219"
                                 z3="-1.125531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a47"
                                 x3="-3.881489"
                                 y3="3.418938"
                                 z3="-0.947088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a48"
                                 x3="-2.265963"
                                 y3="3.963207"
                                 z3="1.403345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="-1.610196"
                                 y3="5.161411"
                                 z3="-2.21603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="-2.324442"
                                 y3="6.035098"
                                 z3="-0.831537">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-0.622184"
                                 y3="5.494964"
                                 z3="-0.776276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="-3.909749"
                                 y3="3.29492"
                                 z3="-2.03339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a53"
                                 x3="-4.479343"
                                 y3="4.291563"
                                 z3="-0.664616">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a54"
                                 x3="-4.302207"
                                 y3="2.523743"
                                 z3="-0.48012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a55"
                                 x3="-2.944823"
                                 y3="4.800926"
                                 z3="1.593262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a56"
                                 x3="-2.641321"
                                 y3="3.069761"
                                 z3="1.910427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a57"
                                 x3="-1.274744"
                                 y3="4.201621"
                                 z3="1.799327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a44" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a23" order="S"/>
                           <bond atomRefs2="a2 a8" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a12" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a6 a8" order="S"/>
                           <bond atomRefs2="a6 a7" order="S"/>
                           <bond atomRefs2="a8 a29" order="S"/>
                           <bond atomRefs2="a8 a28" order="S"/>
                           <bond atomRefs2="a9 a12" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a9 a11" order="S"/>
                           <bond atomRefs2="a12 a24" order="S"/>
                           <bond atomRefs2="a12 a25" order="S"/>
                           <bond atomRefs2="a13 a15" order="S"/>
                           <bond atomRefs2="a13 a24" order="S"/>
                           <bond atomRefs2="a14 a19" order="S"/>
                           <bond atomRefs2="a14 a25" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a15 a18" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a19 a20" order="S"/>
                           <bond atomRefs2="a19 a21" order="S"/>
                           <bond atomRefs2="a19 a22" order="S"/>
                           <bond atomRefs2="a24 a27" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a29 a31" order="S"/>
                           <bond atomRefs2="a29 a30" order="S"/>
                           <bond atomRefs2="a30 a32" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a31 a34" order="S"/>
                           <bond atomRefs2="a31 a35" order="S"/>
                           <bond atomRefs2="a32 a36" order="S"/>
                           <bond atomRefs2="a32 a37" order="S"/>
                           <bond atomRefs2="a34 a36" order="S"/>
                           <bond atomRefs2="a34 a38" order="S"/>
                           <bond atomRefs2="a36 a39" order="S"/>
                           <bond atomRefs2="a39 a40" order="S"/>
                           <bond atomRefs2="a40 a42" order="S"/>
                           <bond atomRefs2="a40 a43" order="S"/>
                           <bond atomRefs2="a40 a41" order="S"/>
                           <bond atomRefs2="a44 a45" order="S"/>
                           <bond atomRefs2="a45 a47" order="S"/>
                           <bond atomRefs2="a45 a48" order="S"/>
                           <bond atomRefs2="a45 a46" order="S"/>
                           <bond atomRefs2="a46 a50" order="S"/>
                           <bond atomRefs2="a46 a51" order="S"/>
                           <bond atomRefs2="a46 a49" order="S"/>
                           <bond atomRefs2="a47 a53" order="S"/>
                           <bond atomRefs2="a47 a54" order="S"/>
                           <bond atomRefs2="a47 a52" order="S"/>
                           <bond atomRefs2="a48 a55" order="S"/>
                           <bond atomRefs2="a48 a56" order="S"/>
                           <bond atomRefs2="a48 a57" order="S"/>
                        </bondArray>
                        <formula concise="C21H29AuO5P"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">560.162011</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C18H20O5.C3H9P.Au/c1-21-12-6-4-11(5-7-12)18-10-17(18)9-16(8-13(17)18,14(19)22-2)15(20)23-3;1-4(2)3;/h4-7,10,13,18H,8-9H2,1-3H3;1-3H3;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:40,15,19,30,31,32,34,3,9,1,29,36,6,24,25,12,2,8,27,26,39,13,14;46,47,48,45;44/E:(2,3)(4,5)(6,7)(14,15)(19,20)(22,23);(1,2,3);/CRV:4.3,5.3,6.3,7.3,10.3,11.3,12.3,14.3,15.3,18.5,19.1,20.1;;/rA:57CCCHHCHC5CHHCOOCHHHCHHHHC3C3O1O1HC3C3C3C3HC3HC3HHOCHHHAuP4CCCHHHHHHHHH/rB:s1;;s3;s3;s2s3;s6;s1s2s6;s2;s9;s9;s3s9;;;s13;s15;s15;s15;s14;s19;s19;s19;s1;s12s13;s12s14;s25;s24;s8;s8;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;s39;s40;s40;s40;s1;s44;s45;s45;s45;s46;s46;s46;s47;s47;s47;s48;s48;s48;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.1080992 0.1006927 0.0608275</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="8">Defaulting to unpruned grid for atomic number 79.</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= 796 796 796 796 803 MxSgAt= 57 MxSgA2= 57.</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">-1669.98238549895</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1670.43808969673</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.455704197784</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.11446480205</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.676375105315</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.17534080680</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.060876004754</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20750133925</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.032160532445</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20846345600</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000962116747</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20857640761</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000112951615</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858446327</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000008055655</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858555465</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001091387</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858570614</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000151484</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858571920</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000013063</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858572137</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002171</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858572140</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000033</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858572155</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000146</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1671.20858572126</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000286</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">-1671.20858572</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">15</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.575209220230e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-1.001009929081e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">3.685769745782e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Two-electron integral symmetry not used.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">IVT=     2160712 IEndB=     2160712 NGot=  2952790016 MDV=  2951355751</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  2951355751 LenY=  2950645945</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">PT12990.500S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2023-04-12T22:09:42.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="109">-19.15093 -10.34383 -10.34142 -10.29580 -10.27277 -10.25886 -10.25535 -10.25204 -10.24514 -10.24266 -10.23416 -10.22848 -10.22378 -10.22149 -10.22095 -10.20437 -10.20392 -10.19694 -10.19595 -10.19503 -10.19492 -10.19448 -6.59967 -4.76070 -4.76069 -4.75829 -4.17544 -2.36332 -2.34263 -2.34247 -1.15084 -1.14181 -1.08946 -1.06087 -1.05875 -0.97518 -0.88814 -0.86831 -0.80149 -0.79817 -0.78837 -0.77857 -0.76916 -0.75791 -0.72892 -0.72262 -0.72230 -0.71138 -0.67239 -0.65395 -0.64279 -0.61894 -0.60533 -0.59376 -0.58619 -0.57935 -0.56945 -0.55649 -0.54309 -0.52730 -0.52231 -0.51360 -0.51012 -0.50443 -0.49892 -0.49093 -0.48533 -0.47834 -0.47479 -0.47206 -0.47126 -0.46011 -0.45799 -0.45769 -0.44989 -0.43954 -0.43753 -0.43506 -0.43145 -0.43116 -0.43067 -0.42316 -0.41706 -0.41671 -0.41088 -0.40843 -0.40139 -0.39983 -0.39030 -0.38934 -0.38727 -0.38243 -0.37479 -0.37334 -0.36668 -0.35156 -0.34666 -0.34086 -0.33954 -0.33229 -0.32690 -0.32070 -0.31638 -0.31617 -0.31185 -0.29171 -0.28339 -0.27542 -0.24483</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="695">-0.09169 -0.04461 -0.04197 -0.03737 -0.03417 -0.03185 -0.02896 -0.02018 -0.00867 -0.00256 0.00234 0.00359 0.01225 0.01457 0.01636 0.01855 0.02248 0.02435 0.02620 0.02883 0.02901 0.03272 0.03412 0.03476 0.04018 0.04180 0.04520 0.04703 0.04793 0.04986 0.05765 0.05962 0.06205 0.06295 0.06810 0.06950 0.07291 0.07385 0.07453 0.07621 0.08493 0.08605 0.08815 0.08889 0.09075 0.09137 0.09396 0.09480 0.09706 0.09855 0.10140 0.10317 0.10597 0.10707 0.10926 0.11214 0.11322 0.11563 0.11870 0.12089 0.12379 0.12586 0.12815 0.13036 0.13190 0.13318 0.13342 0.13621 0.13882 0.14131 0.14276 0.14364 0.14473 0.14835 0.14946 0.15046 0.15238 0.15388 0.15820 0.16088 0.16567 0.16793 0.16900 0.17182 0.17431 0.17749 0.17911 0.18217 0.18505 0.18596 0.18617 0.19036 0.19345 0.19589 0.19720 0.19806 0.19964 0.20204 0.20468 0.20564 0.21144 0.21498 0.21617 0.21684 0.21862 0.21974 0.22470 0.22593 0.22969 0.23265 0.23577 0.23707 0.23941 0.23981 0.24255 0.24587 0.24649 0.25053 0.25366 0.25519 0.25991 0.26185 0.26512 0.26656 0.26930 0.27317 0.27472 0.27672 0.27915 0.28281 0.28444 0.28532 0.28801 0.29005 0.29285 0.29613 0.29887 0.30365 0.30461 0.30935 0.31038 0.31264 0.31643 0.31873 0.31920 0.32239 0.32388 0.32591 0.32708 0.32955 0.33324 0.33512 0.33775 0.34087 0.34132 0.34522 0.35131 0.35304 0.35500 0.35750 0.36005 0.37023 0.37125 0.37573 0.37728 0.37868 0.38764 0.38932 0.39357 0.39577 0.39965 0.40319 0.40440 0.41336 0.41778 0.42008 0.42973 0.43188 0.43663 0.44067 0.45020 0.45253 0.46076 0.47120 0.48251 0.48554 0.49239 0.49709 0.49913 0.50371 0.50788 0.51221 0.51353 0.51754 0.51878 0.52320 0.52848 0.53072 0.53258 0.53926 0.54106 0.54578 0.54812 0.55330 0.55820 0.56269 0.57194 0.57329 0.57626 0.57943 0.58409 0.58945 0.59333 0.59617 0.60482 0.60860 0.61565 0.61771 0.62081 0.62726 0.62821 0.63030 0.63576 0.63624 0.63873 0.64390 0.64661 0.65068 0.65229 0.65528 0.66367 0.66486 0.66774 0.67011 0.67592 0.67815 0.67998 0.68207 0.68500 0.68810 0.69384 0.69490 0.70045 0.70481 0.71035 0.71305 0.71659 0.71685 0.72144 0.72585 0.72926 0.73059 0.73556 0.74526 0.74636 0.74770 0.75115 0.75496 0.76039 0.76535 0.76923 0.77160 0.77417 0.78509 0.78925 0.79146 0.79711 0.80059 0.80271 0.81969 0.82298 0.82804 0.83274 0.83796 0.84705 0.85368 0.85558 0.85741 0.86982 0.87478 0.88345 0.88926 0.90022 0.91653 0.92248 0.92919 0.93891 0.93986 0.94763 0.94994 0.95563 0.95718 0.96382 0.97086 0.98022 0.99569 1.00255 1.00492 1.01298 1.01906 1.02500 1.03284 1.03536 1.04174 1.04394 1.05179 1.05723 1.06419 1.07047 1.07586 1.09373 1.10582 1.10773 1.10937 1.11155 1.12434 1.13010 1.13736 1.15470 1.16205 1.17499 1.17826 1.18776 1.20198 1.21461 1.21889 1.22342 1.22790 1.23962 1.24730 1.25716 1.26399 1.27344 1.27715 1.27943 1.28144 1.29225 1.29746 1.31276 1.31950 1.33813 1.34084 1.35459 1.36076 1.37341 1.38214 1.38776 1.39821 1.40512 1.41302 1.42243 1.42437 1.42617 1.42937 1.42968 1.43096 1.43415 1.44421 1.44668 1.45545 1.45774 1.47120 1.48659 1.49347 1.49954 1.50757 1.51210 1.51586 1.52106 1.52725 1.53023 1.53317 1.54440 1.54984 1.55520 1.55723 1.56144 1.56206 1.56343 1.57119 1.57514 1.58052 1.58220 1.58495 1.58697 1.59018 1.59911 1.60625 1.61220 1.61433 1.62056 1.63494 1.63600 1.64025 1.65123 1.65868 1.66181 1.66472 1.67102 1.68126 1.68272 1.68672 1.69709 1.70113 1.70745 1.71210 1.71589 1.72182 1.72792 1.73864 1.74169 1.74665 1.74890 1.75290 1.75648 1.75949 1.76834 1.77498 1.78308 1.78581 1.79247 1.79889 1.80335 1.80658 1.81514 1.81654 1.82633 1.84629 1.85716 1.86003 1.87841 1.88433 1.88746 1.88991 1.89789 1.90482 1.91272 1.92148 1.92920 1.93470 1.94916 1.95145 1.96491 1.97478 1.98132 1.98383 1.99196 1.99300 2.00508 2.01201 2.01359 2.01452 2.01866 2.02943 2.03559 2.05679 2.06742 2.07076 2.07767 2.08332 2.09085 2.10285 2.10442 2.11394 2.11633 2.12705 2.13714 2.13930 2.15201 2.16179 2.16400 2.17393 2.18213 2.18823 2.19271 2.20757 2.21417 2.22159 2.22230 2.22760 2.26406 2.28132 2.29138 2.29802 2.30255 2.30963 2.32945 2.33521 2.35153 2.37658 2.39932 2.41059 2.41594 2.42761 2.43021 2.43238 2.43416 2.43502 2.43670 2.45600 2.46341 2.46936 2.47216 2.47381 2.48010 2.49304 2.49435 2.49653 2.49825 2.50773 2.51043 2.51148 2.51452 2.52531 2.53853 2.54420 2.55771 2.56551 2.56988 2.57605 2.58096 2.60097 2.60552 2.61453 2.62086 2.63314 2.64036 2.64519 2.64944 2.65924 2.66974 2.67427 2.68020 2.68158 2.68385 2.68875 2.71344 2.71742 2.72497 2.74836 2.76066 2.77278 2.78027 2.78786 2.79426 2.79471 2.80031 2.81507 2.81673 2.83122 2.83516 2.83755 2.84308 2.85221 2.86390 2.86537 2.88375 2.89895 2.90601 2.91224 2.92422 2.92748 2.93481 2.93674 2.94677 2.96235 2.96723 2.97954 2.99965 3.00549 3.02609 3.02944 3.03212 3.05319 3.06568 3.06874 3.08031 3.08249 3.09748 3.10415 3.12525 3.14531 3.16216 3.17659 3.19523 3.19999 3.20373 3.20979 3.22789 3.23020 3.23886 3.27556 3.27716 3.27894 3.31970 3.32824 3.34468 3.35723 3.37580 3.38626 3.42221 3.45318 3.47075 3.50084 3.55503 3.57073 3.58272 3.61284 3.62179 3.62821 3.68822 3.69408 3.70688 3.71779 3.71926 3.74101 3.74439 3.74476 3.75964 3.76072 3.76165 3.76756 3.77411 3.79712 3.81954 3.83883 3.85119 3.96543 3.99636 4.01155 4.04475 4.05817 4.07285 4.11962 4.12261 4.14217 4.15611 4.16437 4.21044 4.26067 4.27544 4.36816 4.38439 4.49310 4.83486 5.00747 5.01892 5.04117 5.08737 5.11692 5.21235 5.23652 5.37797 5.39026 5.40760 5.60843 5.61905 5.77069 5.84836 5.86773 7.17299 14.00046 14.00262 14.08652 23.61109 23.67500 23.76240 23.81303 23.83998 23.87711 23.88765 23.89720 23.90544 23.90885 23.91024 23.91097 23.91457 23.91852 23.92953 23.93240 23.95727 24.00475 24.03617 24.08768 24.15833 43.76731 43.78851 44.02802 49.88796 49.91212 49.94425 49.99406 50.02132 88.05280 163.34763</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="57">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="57">C C C H H C H C C H H C O O C H H H C H H H H C C O O H C C C C H C H C H H O C H H H Au P C C C H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="57">-0.441103 0.644136 -0.678857 0.233093 0.206951 -0.295474 0.227879 -0.170702 -0.990271 0.243170 0.238409 0.156387 0.075841 0.037581 -0.171268 0.182695 0.181013 0.181754 -0.174494 0.177574 0.179663 0.178973 0.183037 -0.325622 0.069182 -0.247113 -0.174622 0.213355 1.120159 -0.294631 -0.259173 0.016937 0.156040 -0.643468 0.147127 -0.400422 0.153202 0.149101 -0.196917 -0.248990 0.171301 0.161402 0.162051 0.690691 0.348946 -0.653266 -0.679239 -0.646067 0.207542 0.186081 0.208285 0.210230 0.187520 0.204714 0.187102 0.203890 0.208685</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-3.2495 1.8111 1.1421</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">3.8915</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-147.6517 -118.9256 -169.2260</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-15.8428 -0.2635 -2.2702</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-2.3839 26.3422 -23.9583 -15.8428 -0.2635 -2.2702</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-88.9447 116.4684 25.0967 -210.4466 108.1026 124.9942 2.5628 71.7565 -15.3797 55.5925</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-8824.3730 -7295.1242 -2092.9515 -235.3959 -89.5694 -99.3070 136.1495 -655.7049 121.1297 -2935.4585 -1509.5923 -1979.7202 -32.1330 -351.8135 -36.1096</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-KIMIK6003</scalar>
                           <formula concise="C 21.0 H 29.0 Au 1.0 O 5.0 P 1.0" formalCharge="0">
                              <atomArray count="21.0 29.0 1.0 5.0 1.0" elementType="C H Au O P"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">EGARCIA</scalar>
                           <scalar dataType="xsd:date">2023-04-12T00:00:00.000</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">single point</scalar>
                        <list dictRef="cc:molecule">
                           <list type="chargemult">
                              <scalar dataType="xsd:string" dictRef="x:formalCharge">1</scalar>
                              <scalar dataType="xsd:string" dictRef="x:spinMultiplicity">1</scalar>
                           </list>
                        </list>
                        <list dictRef="g:archive.namevalue">
                           <scalar dataType="xsd:string">Version=EM64L-G09RevD.01</scalar>
                           <scalar dataType="xsd:string">HF=-1671.2085857</scalar>
                           <scalar dataType="xsd:string">RMSD=7.254e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=-1.7790787,1.5730875,0.2739181</scalar>
                           <scalar dataType="xsd:string">Quadrupole=-1.7723737,19.5847708,-17.8123971,-11.7787254,-0.1959318,-1.6878433</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C21H29Au1O5P1)]</scalar>
                        </list>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="C" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.558719</scalar>
                           <scalar dataType="xsd:string">0.272394</scalar>
                           <scalar dataType="xsd:string">-1.411585</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.159593</scalar>
                           <scalar dataType="xsd:string">-1.110359</scalar>
                           <scalar dataType="xsd:string">-1.520359</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.684434</scalar>
                           <scalar dataType="xsd:string">-3.311626</scalar>
                           <scalar dataType="xsd:string">-0.656426</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.221545</scalar>
                           <scalar dataType="xsd:string">-3.649006</scalar>
                           <scalar dataType="xsd:string">0.23216</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.773468</scalar>
                           <scalar dataType="xsd:string">-4.088832</scalar>
                           <scalar dataType="xsd:string">-1.421837</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
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