<?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">21-Jul-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:nactiveatoms">
                  <scalar dataType="xsd:integer">55</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">55</scalar>
               </parameter>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(5D, 7F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-311+G(d,p)</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-311+G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">SP</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">b3lyp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">6-311+G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(solvent=dichloromethane,pcm)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</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="2.45265"
                        y3="1.36049"
                        z3="-2.59826"/>
                  <atom elementType="C"
                        id="a2"
                        x3="2.2486"
                        y3="-0.0160"
                        z3="-2.77997"/>
                  <atom elementType="C"
                        id="a3"
                        x3="3.26174"
                        y3="-0.93098"
                        z3="-2.46359"/>
                  <atom elementType="C"
                        id="a4"
                        x3="4.68966"
                        y3="0.92929"
                        z3="-1.8314"/>
                  <atom elementType="H"
                        id="a5"
                        x3="3.10932"
                        y3="-1.99856"
                        z3="-2.59192"/>
                  <atom elementType="H"
                        id="a6"
                        x3="5.64692"
                        y3="1.28993"
                        z3="-1.46629"/>
                  <atom elementType="C"
                        id="a7"
                        x3="0.92077"
                        y3="-0.25268"
                        z3="-3.35976"/>
                  <atom elementType="C"
                        id="a8"
                        x3="1.22696"
                        y3="2.16336"
                        z3="-2.95595"/>
                  <atom elementType="H"
                        id="a9"
                        x3="1.42855"
                        y3="2.94722"
                        z3="-3.69145"/>
                  <atom elementType="H"
                        id="a10"
                        x3="0.81724"
                        y3="2.66176"
                        z3="-2.06803"/>
                  <atom elementType="C"
                        id="a11"
                        x3="0.22358"
                        y3="1.09215"
                        z3="-3.54008"/>
                  <atom elementType="H"
                        id="a12"
                        x3="0.09293"
                        y3="1.28697"
                        z3="-4.61173"/>
                  <atom elementType="C"
                        id="a13"
                        x3="-1.12239"
                        y3="1.25825"
                        z3="-2.89484"/>
                  <atom elementType="C"
                        id="a14"
                        x3="-1.53615"
                        y3="0.48485"
                        z3="-1.81697"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.04157"
                        y3="-0.46874"
                        z3="-1.64072"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-1.01092"
                        y3="1.16515"
                        z3="-0.78958"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-2.58564"
                        y3="0.53662"
                        z3="-1.52808"/>
                  <atom elementType="C"
                        id="a18"
                        x3="4.47841"
                        y3="-0.44872"
                        z3="-1.9854"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.27172"
                        y3="-1.14631"
                        z3="-1.7341"/>
                  <atom elementType="C"
                        id="a20"
                        x3="3.67625"
                        y3="1.84101"
                        z3="-2.13576"/>
                  <atom elementType="H"
                        id="a21"
                        x3="3.83878"
                        y3="2.90783"
                        z3="-2.01157"/>
                  <atom elementType="C"
                        id="a22"
                        x3="0.44507"
                        y3="-1.43785"
                        z3="-3.76189"/>
                  <atom elementType="H"
                        id="a23"
                        x3="0.98264"
                        y3="-2.37286"
                        z3="-3.66353"/>
                  <atom elementType="Cl"
                        id="a24"
                        x3="-1.11289"
                        y3="-1.62213"
                        z3="-4.53791"/>
                  <atom elementType="C"
                        id="a25"
                        x3="-1.95428"
                        y3="2.38997"
                        z3="-3.39092"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-2.3443"
                        y3="2.10994"
                        z3="-4.38101"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-2.79849"
                        y3="2.60993"
                        z3="-2.73469"/>
                  <atom elementType="H"
                        id="a28"
                        x3="-1.35206"
                        y3="3.29326"
                        z3="-3.54284"/>
                  <atom elementType="C"
                        id="a29"
                        x3="2.67294"
                        y3="1.07155"
                        z3="1.18226"/>
                  <atom elementType="C"
                        id="a30"
                        x3="1.40273"
                        y3="0.41761"
                        z3="1.19617"/>
                  <atom elementType="C"
                        id="a31"
                        x3="1.30426"
                        y3="-0.97758"
                        z3="1.45554"/>
                  <atom elementType="C"
                        id="a32"
                        x3="3.6993"
                        y3="-1.08089"
                        z3="1.65697"/>
                  <atom elementType="H"
                        id="a33"
                        x3="0.32399"
                        y3="-1.44239"
                        z3="1.46522"/>
                  <atom elementType="H"
                        id="a34"
                        x3="4.6012"
                        y3="-1.66114"
                        z3="1.8283"/>
                  <atom elementType="C"
                        id="a35"
                        x3="0.23702"
                        y3="1.14291"
                        z3="0.96399"/>
                  <atom elementType="C"
                        id="a36"
                        x3="-0.80249"
                        y3="1.68957"
                        z3="0.53557"/>
                  <atom elementType="C"
                        id="a37"
                        x3="2.78273"
                        y3="2.56826"
                        z3="0.99479"/>
                  <atom elementType="H"
                        id="a38"
                        x3="2.06791"
                        y3="2.89686"
                        z3="0.23044"/>
                  <atom elementType="H"
                        id="a39"
                        x3="3.77908"
                        y3="2.80557"
                        z3="0.61823"/>
                  <atom elementType="C"
                        id="a40"
                        x3="2.49202"
                        y3="3.28629"
                        z3="2.29665"/>
                  <atom elementType="H"
                        id="a41"
                        x3="1.44456"
                        y3="3.25891"
                        z3="2.59846"/>
                  <atom elementType="C"
                        id="a42"
                        x3="3.37026"
                        y3="3.89626"
                        z3="3.10691"/>
                  <atom elementType="C"
                        id="a43"
                        x3="4.85557"
                        y3="3.99377"
                        z3="2.85985"/>
                  <atom elementType="H"
                        id="a44"
                        x3="5.17917"
                        y3="5.04291"
                        z3="2.87934"/>
                  <atom elementType="H"
                        id="a45"
                        x3="5.40659"
                        y3="3.48334"
                        z3="3.66146"/>
                  <atom elementType="H"
                        id="a46"
                        x3="5.17306"
                        y3="3.56028"
                        z3="1.90852"/>
                  <atom elementType="C"
                        id="a47"
                        x3="2.90864"
                        y3="4.55064"
                        z3="4.38769"/>
                  <atom elementType="H"
                        id="a48"
                        x3="3.41671"
                        y3="4.10657"
                        z3="5.25491"/>
                  <atom elementType="H"
                        id="a49"
                        x3="3.1617"
                        y3="5.61971"
                        z3="4.39288"/>
                  <atom elementType="H"
                        id="a50"
                        x3="1.82863"
                        y3="4.45294"
                        z3="4.53655"/>
                  <atom elementType="C"
                        id="a51"
                        x3="2.45021"
                        y3="-1.72103"
                        z3="1.67289"/>
                  <atom elementType="H"
                        id="a52"
                        x3="2.38392"
                        y3="-2.78817"
                        z3="1.85664"/>
                  <atom elementType="C"
                        id="a53"
                        x3="3.80295"
                        y3="0.29218"
                        z3="1.42486"/>
                  <atom elementType="H"
                        id="a54"
                        x3="4.78069"
                        y3="0.76366"
                        z3="1.42203"/>
                  <atom elementType="Cl"
                        id="a55"
                        x3="-2.09822"
                        y3="2.69509"
                        z3="0.93421"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a20" order="S"/>
                  <bond atomRefs2="a1 a8" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a29 a53" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a32 a53" order="S"/>
                  <bond atomRefs2="a32 a51" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
               </bondArray>
               <formula concise="C26H27Cl2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">383.1841999999998</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=1/C26H27Cl2/c1-18(2)12-13-20-8-4-5-9-21(20)15-26(28)29-17-19(3)24-14-22-10-6-7-11-23(22)25(24)16-27/h4-12,16,24H,13-14,17H2,1-3H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:43,47,25,32,51,4,18,53,31,20,3,40,37,8,35,22,14,42,13,29,30,1,2,11,7,36,24,55,16/E:(1,2)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,15.2,16.3,18.3,19.3,20.3,21.3,22.3,23.3,25.3,26.3,29.2/rA:55nC3C3C3C3HHC3CHHCHC3CHH2HC3HC3HC3HClCHHHC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHC3HC3HCl/rB:s1;s2;;s3;s4;s2;s1;s8;s8;s7s8;s11;s11;s13;s14;s14;s14;s3s4;s18;s1s4;s20;s7;s22;s22;s13;s25;s25;s25;;s29;s30;;s31;s32;s30;s16s35;s29;s37;s37;s37;s40;s40;s42;s43;s43;s43;s42;s47;s47;s47;s31s32;s51;s29s32;s53;s36;/rC:2.4527,1.3605,-2.5983;2.2486,-.016,-2.78;3.2617,-.931,-2.4636;4.6897,.9293,-1.8314;3.1093,-1.9986,-2.5919;5.6469,1.2899,-1.4663;.9208,-.2527,-3.3598;1.227,2.1634,-2.956;1.4285,2.9472,-3.6915;.8172,2.6618,-2.068;.2236,1.0921,-3.5401;.0929,1.287,-4.6117;-1.1224,1.2583,-2.8948;-1.5361,.4849,-1.817;-1.0416,-.4687,-1.6407;-1.0109,1.1651,-.7896;-2.5856,.5366,-1.5281;4.4784,-.4487,-1.9854;5.2717,-1.1463,-1.7341;3.6763,1.841,-2.1358;3.8388,2.9078,-2.0116;.4451,-1.4379,-3.7619;.9826,-2.3729,-3.6635;-1.1129,-1.6221,-4.5379;-1.9543,2.39,-3.3909;-2.3443,2.1099,-4.381;-2.7985,2.6099,-2.7347;-1.3521,3.2933,-3.5428;2.6729,1.0716,1.1823;1.4027,.4176,1.1962;1.3043,-.9776,1.4555;3.6993,-1.0809,1.657;.324,-1.4424,1.4652;4.6012,-1.6611,1.8283;.237,1.1429,.964;-.8025,1.6896,.5356;2.7827,2.5683,.9948;2.0679,2.8969,.2304;3.7791,2.8056,.6182;2.492,3.2863,2.2967;1.4446,3.2589,2.5985;3.3703,3.8963,3.1069;4.8556,3.9938,2.8598;5.1792,5.0429,2.8793;5.4066,3.4833,3.6615;5.1731,3.5603,1.9085;2.9086,4.5506,4.3877;3.4167,4.1066,5.2549;3.1617,5.6197,4.3929;1.8286,4.4529,4.5366;2.4502,-1.721,1.6729;2.3839,-2.7882,1.8566;3.803,.2922,1.4249;4.7807,.7637,1.422;-2.0982,2.6951,.9342;</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-119825.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=20</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=41GB</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p b3lyp 6-311+G(d,p) scrf=(solvent=dichloromethane,pcm) nosymm empiri</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=4,6=6,7=111,11=2,16=1,25=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="55">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="55">12 12 12 12 1 1 12 12 1 1 12 1 12 12 1 1 1 12 1 12 1 12 1 35 12 1 1 1 12 12 12 12 1 1 12 12 12 1 1 12 1 12 12 1 1 1 12 1 1 1 12 1 12 1 35</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="55">12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 34.9688527 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 34.9688527</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="55">0 0 0 0 1 1 0 0 1 1 0 1 0 0 1 1 1 0 1 0 1 0 1 3 0 1 1 1 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 1 1 1 0 1 1 1 0 1 0 1 3</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="55">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="l301.basis" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="ernie">
                     <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                     <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                     <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                  </module>
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">55</scalar>
                  <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                  <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                  <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                  <scalar dataType="xsd:string" dictRef="g:misc">IExCor=  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>
               <module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 794 RedAO= T EigKep= 1.52D-06 NBF= 794</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 786 1.00D-06 EigRej= 9.19D-07 NBFU= 786</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.dispersion">
                     <scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D3</scalar>
                     <scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.0701135986</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="2.45265"
                                 y3="1.360491"
                                 z3="-2.598255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="2.248603"
                                 y3="-0.016004"
                                 z3="-2.779968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="3.261743"
                                 y3="-0.930984"
                                 z3="-2.463586">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="4.689657"
                                 y3="0.929285"
                                 z3="-1.831398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a5"
                                 x3="3.109319"
                                 y3="-1.99856"
                                 z3="-2.591919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a6"
                                 x3="5.646919"
                                 y3="1.289931"
                                 z3="-1.466285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="0.92077"
                                 y3="-0.252676"
                                 z3="-3.359757">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="1.226957"
                                 y3="2.163356"
                                 z3="-2.955954">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="1.428554"
                                 y3="2.947221"
                                 z3="-3.691449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="0.81724"
                                 y3="2.661755"
                                 z3="-2.068027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="0.223584"
                                 y3="1.092154"
                                 z3="-3.540081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="0.092931"
                                 y3="1.28697"
                                 z3="-4.61173">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="-1.122394"
                                 y3="1.258251"
                                 z3="-2.894835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="-1.536148"
                                 y3="0.484851"
                                 z3="-1.816968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-1.041569"
                                 y3="-0.468738"
                                 z3="-1.640717">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-1.010923"
                                 y3="1.16515"
                                 z3="-0.789575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="-2.585637"
                                 y3="0.536618"
                                 z3="-1.528081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a18"
                                 x3="4.478409"
                                 y3="-0.448719"
                                 z3="-1.985402">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="5.271716"
                                 y3="-1.146307"
                                 z3="-1.734101">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a20"
                                 x3="3.676248"
                                 y3="1.841014"
                                 z3="-2.135758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="3.838782"
                                 y3="2.907826"
                                 z3="-2.011571">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a22"
                                 x3="0.44507"
                                 y3="-1.437845"
                                 z3="-3.761893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="0.98264"
                                 y3="-2.372862"
                                 z3="-3.66353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a24"
                                 x3="-1.112887"
                                 y3="-1.622134"
                                 z3="-4.537905">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="-1.954275"
                                 y3="2.389968"
                                 z3="-3.390923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-2.344295"
                                 y3="2.109941"
                                 z3="-4.381008">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-2.798487"
                                 y3="2.609927"
                                 z3="-2.73469">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-1.352055"
                                 y3="3.29326"
                                 z3="-3.542836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a29"
                                 x3="2.672939"
                                 y3="1.071552"
                                 z3="1.182262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a30"
                                 x3="1.402734"
                                 y3="0.417608"
                                 z3="1.196174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a31"
                                 x3="1.304261"
                                 y3="-0.977579"
                                 z3="1.45554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a32"
                                 x3="3.699302"
                                 y3="-1.080894"
                                 z3="1.65697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="0.323993"
                                 y3="-1.442389"
                                 z3="1.465223">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="4.601202"
                                 y3="-1.66114"
                                 z3="1.828299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a35"
                                 x3="0.237019"
                                 y3="1.142913"
                                 z3="0.963987">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="-0.802486"
                                 y3="1.689566"
                                 z3="0.535569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="2.782727"
                                 y3="2.568257"
                                 z3="0.994791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a38"
                                 x3="2.067914"
                                 y3="2.896861"
                                 z3="0.230436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="3.779083"
                                 y3="2.80557"
                                 z3="0.618231">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a40"
                                 x3="2.492022"
                                 y3="3.286286"
                                 z3="2.296645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="1.44456"
                                 y3="3.258911"
                                 z3="2.598459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a42"
                                 x3="3.370258"
                                 y3="3.896256"
                                 z3="3.106909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a43"
                                 x3="4.855569"
                                 y3="3.993766"
                                 z3="2.859849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="5.17917"
                                 y3="5.04291"
                                 z3="2.87934">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="5.406592"
                                 y3="3.483343"
                                 z3="3.661461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="5.173063"
                                 y3="3.560283"
                                 z3="1.908521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a47"
                                 x3="2.908639"
                                 y3="4.550635"
                                 z3="4.387695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.416706"
                                 y3="4.106571"
                                 z3="5.254912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="3.161698"
                                 y3="5.619708"
                                 z3="4.392883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="1.828632"
                                 y3="4.452944"
                                 z3="4.536548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a51"
                                 x3="2.45021"
                                 y3="-1.721025"
                                 z3="1.672889">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="2.383923"
                                 y3="-2.788174"
                                 z3="1.856643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a53"
                                 x3="3.802949"
                                 y3="0.292183"
                                 z3="1.424857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a54"
                                 x3="4.780686"
                                 y3="0.763661"
                                 z3="1.422034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="Cl"
                                 id="a55"
                                 x3="-2.098218"
                                 y3="2.695091"
                                 z3="0.934211">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a20" order="S"/>
                           <bond atomRefs2="a1 a8" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a3 a18" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a4 a6" order="S"/>
                           <bond atomRefs2="a4 a18" order="S"/>
                           <bond atomRefs2="a4 a20" order="S"/>
                           <bond atomRefs2="a7 a22" order="S"/>
                           <bond atomRefs2="a7 a11" order="S"/>
                           <bond atomRefs2="a8 a9" order="S"/>
                           <bond atomRefs2="a8 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a11 a13" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                           <bond atomRefs2="a13 a25" order="S"/>
                           <bond atomRefs2="a13 a14" order="S"/>
                           <bond atomRefs2="a14 a15" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a16" order="S"/>
                           <bond atomRefs2="a16 a36" order="S"/>
                           <bond atomRefs2="a18 a19" order="S"/>
                           <bond atomRefs2="a20 a21" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a22 a24" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a25 a28" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a29 a53" order="S"/>
                           <bond atomRefs2="a29 a37" order="S"/>
                           <bond atomRefs2="a29 a30" order="S"/>
                           <bond atomRefs2="a30 a31" order="S"/>
                           <bond atomRefs2="a30 a35" order="S"/>
                           <bond atomRefs2="a31 a33" order="S"/>
                           <bond atomRefs2="a31 a51" order="S"/>
                           <bond atomRefs2="a32 a53" order="S"/>
                           <bond atomRefs2="a32 a51" order="S"/>
                           <bond atomRefs2="a32 a34" order="S"/>
                           <bond atomRefs2="a35 a36" order="S"/>
                           <bond atomRefs2="a36 a55" order="S"/>
                           <bond atomRefs2="a37 a39" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a37 a38" order="S"/>
                           <bond atomRefs2="a40 a42" order="S"/>
                           <bond atomRefs2="a40 a41" order="S"/>
                           <bond atomRefs2="a42 a43" order="S"/>
                           <bond atomRefs2="a42 a47" order="S"/>
                           <bond atomRefs2="a43 a44" order="S"/>
                           <bond atomRefs2="a43 a45" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a47 a48" order="S"/>
                           <bond atomRefs2="a47 a49" order="S"/>
                           <bond atomRefs2="a47 a50" order="S"/>
                           <bond atomRefs2="a51 a52" order="S"/>
                           <bond atomRefs2="a53 a54" order="S"/>
                        </bondArray>
                        <formula concise="C26H27Cl2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">383.1841999999998</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C26H27Cl2/c1-18(2)12-13-20-8-4-5-9-21(20)15-26(28)29-17-19(3)24-14-22-10-6-7-11-23(22)25(24)16-27/h4-12,16,24H,13-14,17H2,1-3H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:43,47,25,32,51,4,18,53,31,20,3,40,37,8,35,22,14,42,13,29,30,1,2,11,7,36,24,55,16/E:(1,2)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,15.2,16.3,18.3,19.3,20.3,21.3,22.3,23.3,25.3,26.3,29.2/rA:55nC3C3C3C3HHC3CHHCHC3CHH2HC3HC3HC3HClCHHHC3C3C3C3HHC2C3CHHC3HC3CHHHCHHHC3HC3HCl/rB:s1;s2;;s3;s4;s2;s1;s8;s8;s7s8;s11;s11;s13;s14;s14;s14;s3s4;s18;s1s4;s20;s7;s22;s22;s13;s25;s25;s25;;s29;s30;;s31;s32;s30;s16s35;s29;s37;s37;s37;s40;s40;s42;s43;s43;s43;s42;s47;s47;s47;s31s32;s51;s29s32;s53;s36;/rC:2.4527,1.3605,-2.5983;2.2486,-.016,-2.78;3.2617,-.931,-2.4636;4.6897,.9293,-1.8314;3.1093,-1.9986,-2.5919;5.6469,1.2899,-1.4663;.9208,-.2527,-3.3598;1.227,2.1634,-2.956;1.4286,2.9472,-3.6914;.8172,2.6618,-2.068;.2236,1.0922,-3.5401;.0929,1.287,-4.6117;-1.1224,1.2583,-2.8948;-1.5361,.4849,-1.817;-1.0416,-.4687,-1.6407;-1.0109,1.1651,-.7896;-2.5856,.5366,-1.5281;4.4784,-.4487,-1.9854;5.2717,-1.1463,-1.7341;3.6762,1.841,-2.1358;3.8388,2.9078,-2.0116;.4451,-1.4378,-3.7619;.9826,-2.3729,-3.6635;-1.1129,-1.6221,-4.5379;-1.9543,2.39,-3.3909;-2.3443,2.1099,-4.381;-2.7985,2.6099,-2.7347;-1.3521,3.2933,-3.5428;2.6729,1.0716,1.1823;1.4027,.4176,1.1962;1.3043,-.9776,1.4555;3.6993,-1.0809,1.657;.324,-1.4424,1.4652;4.6012,-1.6611,1.8283;.237,1.1429,.964;-.8025,1.6896,.5356;2.7827,2.5683,.9948;2.0679,2.8969,.2304;3.7791,2.8056,.6182;2.492,3.2863,2.2966;1.4446,3.2589,2.5985;3.3703,3.8963,3.1069;4.8556,3.9938,2.8598;5.1792,5.0429,2.8793;5.4066,3.4833,3.6615;5.1731,3.5603,1.9085;2.9086,4.5506,4.3877;3.4167,4.1066,5.2549;3.1617,5.6197,4.3929;1.8286,4.4529,4.5365;2.4502,-1.721,1.6729;2.3839,-2.7882,1.8566;3.8029,.2922,1.4249;4.7807,.7637,1.422;-2.0982,2.6951,.9342;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.2065858 0.1139947 0.0935241</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 790 797 799 799 803 MxSgAt= 55 MxSgA2= 55.</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">-1926.69116103766</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.01392791530</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.322766877639</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.38278293241</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.368855017116</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.05168521283</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.331097719589</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.44206138919</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.390376176360</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47354927053</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.031487881341</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47409610768</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000546837152</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47412425634</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000028148659</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413055722</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000006300886</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413114454</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000587313</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121046</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000065926</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121740</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000006939</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121914</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001735</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121925</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000116</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121908</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000174</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121940</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000323</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1927.47413121934</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000059</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">-1927.47413122</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">17</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.920292373784e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-1.027553295168e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">3.537780121416e+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=     2067084 IEndB=     2067084 NGot=  5502926848 MDV=  5501552911</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  5501552911 LenY=  5500876405</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">PT8702.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2023-07-21T17:15:08.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="103">-10.25014 -10.24303 -10.23616 -10.23497 -10.22519 -10.22436 -10.22137 -10.21753 -10.21650 -10.21048 -10.21022 -10.20951 -10.20904 -10.20872 -10.20077 -10.20070 -10.19841 -10.19782 -10.19705 -10.19621 -10.18206 -10.17640 -10.17357 -9.52903 -9.49333 -7.29475 -7.28341 -7.28294 -7.25766 -7.24844 -7.24785 -0.93232 -0.92387 -0.90996 -0.89042 -0.87834 -0.83952 -0.83357 -0.83185 -0.80542 -0.79582 -0.77625 -0.75531 -0.75297 -0.74394 -0.74252 -0.70487 -0.68101 -0.67688 -0.66355 -0.65392 -0.62797 -0.60965 -0.59566 -0.57790 -0.56720 -0.54259 -0.53680 -0.53474 -0.52512 -0.51475 -0.51270 -0.50842 -0.50571 -0.49086 -0.47530 -0.47425 -0.46878 -0.46643 -0.46481 -0.46196 -0.45674 -0.45500 -0.44110 -0.43878 -0.43656 -0.42310 -0.42093 -0.41422 -0.41083 -0.40796 -0.40554 -0.39817 -0.39614 -0.39475 -0.39055 -0.38535 -0.38397 -0.37949 -0.37529 -0.37394 -0.36982 -0.36536 -0.35156 -0.34061 -0.33601 -0.31727 -0.31044 -0.29021 -0.27666 -0.27374 -0.25602 -0.24698</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="678">-0.15094 -0.08846 -0.07357 -0.04834 -0.03872 -0.03461 -0.02209 -0.01393 -0.01111 -0.00587 -0.00212 0.00031 0.00087 0.00849 0.01137 0.01317 0.01603 0.01768 0.02227 0.02491 0.03049 0.03241 0.03455 0.03628 0.03936 0.04296 0.04584 0.04840 0.05242 0.05429 0.05659 0.05816 0.06164 0.06369 0.06449 0.07136 0.07367 0.07655 0.07698 0.08006 0.08237 0.08590 0.09065 0.09254 0.09374 0.09571 0.09805 0.10384 0.10511 0.10753 0.10907 0.11012 0.11415 0.11621 0.11791 0.12149 0.12253 0.12527 0.12652 0.12873 0.12976 0.13238 0.13693 0.14095 0.14187 0.14284 0.14825 0.14970 0.15216 0.15369 0.15808 0.15895 0.16241 0.16275 0.16683 0.16697 0.16782 0.17108 0.17465 0.17671 0.17872 0.18100 0.18233 0.18492 0.18568 0.18994 0.19024 0.19388 0.19527 0.19755 0.20027 0.20233 0.20374 0.20481 0.20720 0.20795 0.21147 0.21367 0.21597 0.21720 0.22081 0.22305 0.22417 0.22677 0.22833 0.22914 0.23108 0.23296 0.23543 0.23660 0.24156 0.24338 0.24405 0.24579 0.25032 0.25147 0.25238 0.25408 0.25771 0.26107 0.26245 0.26514 0.26847 0.26923 0.27187 0.27377 0.27647 0.27897 0.27921 0.28225 0.28540 0.28757 0.28922 0.29196 0.29230 0.29520 0.30049 0.30215 0.30354 0.30859 0.31016 0.31406 0.31641 0.32095 0.32848 0.33067 0.33175 0.33595 0.33630 0.33976 0.34904 0.34998 0.35216 0.35434 0.36067 0.36478 0.36861 0.37002 0.37708 0.38160 0.39475 0.39612 0.40288 0.40933 0.41338 0.41901 0.42614 0.44122 0.44435 0.44838 0.45678 0.46098 0.46392 0.46592 0.47393 0.47534 0.48495 0.48900 0.49547 0.50324 0.50593 0.50906 0.51094 0.51955 0.52359 0.52740 0.52934 0.53184 0.53877 0.54274 0.54722 0.55244 0.55617 0.55698 0.56160 0.56980 0.57459 0.57739 0.58082 0.58654 0.59261 0.59458 0.59659 0.59952 0.60682 0.60854 0.61194 0.61578 0.61893 0.62593 0.62674 0.63272 0.63325 0.63649 0.64117 0.64480 0.65013 0.65197 0.65787 0.65949 0.66404 0.66722 0.67042 0.67096 0.67425 0.67723 0.67972 0.68145 0.68541 0.68739 0.68929 0.69482 0.69792 0.69958 0.70024 0.70492 0.70709 0.71239 0.71554 0.71818 0.72369 0.72537 0.72766 0.73376 0.73643 0.74214 0.74237 0.74684 0.75178 0.75323 0.75817 0.76364 0.76861 0.77160 0.77350 0.77648 0.78226 0.78818 0.79027 0.79387 0.79915 0.80632 0.80995 0.81263 0.81629 0.82660 0.82850 0.82966 0.83807 0.84321 0.84796 0.85314 0.85593 0.86128 0.86677 0.86930 0.87515 0.88013 0.88351 0.88936 0.88975 0.89775 0.90664 0.90844 0.91904 0.92791 0.93297 0.94255 0.94861 0.95321 0.95905 0.96463 0.96763 0.97202 0.97455 0.97719 0.98648 0.99738 1.00152 1.00491 1.01274 1.01509 1.02574 1.02768 1.04093 1.04267 1.04729 1.05155 1.05341 1.06127 1.06208 1.07883 1.08711 1.08951 1.09641 1.10520 1.11558 1.11755 1.12372 1.12754 1.13458 1.14516 1.14738 1.15338 1.16273 1.16806 1.18182 1.20296 1.21332 1.22068 1.23066 1.25323 1.26262 1.27337 1.28471 1.29429 1.30548 1.31113 1.33030 1.33295 1.34341 1.34915 1.36458 1.37137 1.38110 1.39501 1.39736 1.40791 1.41411 1.42687 1.42768 1.44088 1.44965 1.45504 1.45996 1.46059 1.46546 1.47509 1.48071 1.48578 1.48864 1.49418 1.50332 1.50669 1.51757 1.52641 1.53010 1.53642 1.53875 1.54731 1.55040 1.55751 1.55975 1.56423 1.56790 1.57530 1.57571 1.58168 1.58893 1.59278 1.59958 1.60287 1.60728 1.61096 1.61654 1.62402 1.62917 1.63043 1.64246 1.65343 1.65631 1.66211 1.67235 1.67495 1.67965 1.68926 1.69262 1.69478 1.69589 1.70827 1.71284 1.71807 1.72822 1.73389 1.74069 1.74678 1.74864 1.75438 1.76141 1.76507 1.77156 1.77669 1.78060 1.78847 1.79499 1.80535 1.81147 1.81500 1.82651 1.83788 1.84618 1.85170 1.85722 1.86514 1.87342 1.87900 1.88101 1.89008 1.89914 1.90678 1.91256 1.92034 1.92420 1.92793 1.92985 1.93420 1.93840 1.94615 1.95046 1.95270 1.96938 1.97087 1.98144 1.98299 1.98771 1.99592 2.00906 2.01225 2.01813 2.03066 2.03428 2.04985 2.05521 2.06267 2.07498 2.07977 2.08632 2.09384 2.10058 2.10301 2.11601 2.12277 2.13225 2.14697 2.15498 2.17293 2.18274 2.19272 2.20620 2.20876 2.21247 2.22274 2.24629 2.25771 2.26663 2.26697 2.27648 2.28011 2.29196 2.30422 2.30646 2.31129 2.33486 2.34239 2.34953 2.35325 2.37184 2.37955 2.38174 2.39093 2.39184 2.40989 2.42393 2.42616 2.43103 2.43422 2.44274 2.45373 2.46109 2.46783 2.47362 2.47874 2.49224 2.50651 2.51236 2.51344 2.52315 2.53280 2.53761 2.54557 2.55862 2.56584 2.57088 2.57821 2.58480 2.59057 2.60890 2.61677 2.62089 2.62953 2.63608 2.64063 2.64210 2.64604 2.65587 2.67436 2.67908 2.69286 2.69854 2.70480 2.71209 2.71809 2.71887 2.72502 2.74049 2.74718 2.75354 2.75703 2.76112 2.77036 2.77195 2.78651 2.78965 2.80303 2.80861 2.81534 2.81771 2.82714 2.83225 2.83686 2.84544 2.85234 2.86334 2.86753 2.86984 2.87494 2.88735 2.89693 2.90015 2.90326 2.91711 2.92755 2.93106 2.94139 2.94380 2.95190 2.96523 2.97586 2.98057 2.98597 2.99553 3.01102 3.01728 3.03945 3.04634 3.04849 3.06067 3.08554 3.09035 3.10373 3.10445 3.12459 3.13993 3.14481 3.16009 3.17866 3.18913 3.21304 3.22105 3.23102 3.27310 3.28682 3.32007 3.32569 3.33640 3.34675 3.37201 3.40586 3.41256 3.41578 3.45343 3.46885 3.53498 3.54379 3.55003 3.57787 3.59908 3.61103 3.62560 3.68535 3.71557 3.74372 3.74794 3.74989 3.76380 3.79397 3.80042 3.80707 3.81481 3.81691 3.83240 3.84732 3.88701 4.00110 4.00839 4.02125 4.02864 4.06856 4.09803 4.14459 4.14862 4.20530 4.23879 4.26296 4.26571 4.32054 4.32580 4.39106 4.44096 4.53251 4.79811 4.82820 9.76832 9.79440 23.44962 23.55946 23.69294 23.70049 23.73472 23.76016 23.85096 23.88227 23.89737 23.92067 23.93012 23.93890 23.94260 23.97312 23.97482 23.98903 24.00455 24.04935 24.06131 24.06588 24.07956 24.14073 24.16183 24.17920 24.24669 24.71076 25.87306 25.90063 26.07743 26.15200 26.54881 26.57467 215.75998 215.79041</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="55">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="55">C C C C H H C C H H C H C C H H H C H C H C H Cl C H H H C C C C H H C C C H H C H C C H H H C H H H C H C H Cl</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="55">0.185565 0.876324 -0.275173 -0.450785 0.137852 0.153860 1.169261 -0.608106 0.216366 0.194502 -0.646733 0.229143 0.934475 -1.238753 0.205715 0.351142 0.231668 -0.330232 0.147345 -0.153219 0.146666 -1.513714 0.209078 0.277676 -0.534687 0.222365 0.185546 0.196035 1.240654 0.196873 -0.422109 -0.523973 0.160997 0.166739 0.351913 -0.855993 0.284266 0.155182 0.139075 -0.449130 0.134820 0.076917 -0.735142 0.157219 0.166531 0.132282 -0.629712 0.152891 0.154079 0.142659 -0.282648 0.162672 -0.425629 0.157204 0.672180</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">5.0294 5.4565 -3.7835</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">8.3297</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-133.8024 -149.7540 -155.5484</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-2.6075 14.2434 -12.3372</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">12.5659 -3.3857 -9.1801 -2.6075 14.2434 -12.3372</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-614.6674 -520.6265 292.2403 -204.1218 -140.1397 141.2585 -260.6024 -106.7099 98.8739 36.7463</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-6754.3122 -4822.8285 -7574.2532 -927.8717 -434.0397 -952.0709 -958.0591 -510.0670 -1135.5689 -1813.7029 -2470.6748 -1860.0635 -259.8432 -138.8937 -345.3391</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-KIMIK6014</scalar>
                           <formula concise="C 26.0 H 27.0 Cl 2.0" formalCharge="0">
                              <atomArray count="26.0 27.0 2.0" elementType="C H Cl"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">EGARCIA</scalar>
                           <scalar dataType="xsd:date">2023-07-21T00:00:00.000</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=-1927.4741312</scalar>
                           <scalar dataType="xsd:string">RMSD=3.996e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=-0.6349808,0.1565391,-0.3063931</scalar>
                           <scalar dataType="xsd:string">Quadrupole=9.342428,-2.5172207,-6.8252073,-1.938634,10.5896151,-9.1724244</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C26H27Cl2)]</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">2.45265</scalar>
                           <scalar dataType="xsd:string">1.360491</scalar>
                           <scalar dataType="xsd:string">-2.598255</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.248603</scalar>
                           <scalar dataType="xsd:string">-0.016004</scalar>
                           <scalar dataType="xsd:string">-2.779968</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.261743</scalar>
                           <scalar dataType="xsd:string">-0.930984</scalar>
                           <scalar dataType="xsd:string">-2.463586</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.689657</scalar>
                           <scalar dataType="xsd:string">0.929285</scalar>
                           <scalar dataType="xsd:string">-1.831398</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.109319</scalar>
                           <scalar dataType="xsd:string">-1.99856</scalar>
                           <scalar dataType="xsd:string">-2.591919</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.646919</scalar>
                           <scalar dataType="xsd:string">1.289931</scalar>
                           <scalar dataType="xsd:string">-1.466285</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a7"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.92077</scalar>
                           <scalar dataType="xsd:string">-0.252676</scalar>
                           <scalar dataType="xsd:string">-3.359757</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a8"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.226957</scalar>
                           <scalar dataType="xsd:string">2.163356</scalar>
                           <scalar dataType="xsd:string">-2.955954</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a9"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.428554</scalar>
                           <scalar dataType="xsd:string">2.947221</scalar>
                           <scalar dataType="xsd:string">-3.691449</scalar>
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                           <atom elementType="H" id="a10"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.81724</scalar>
                           <scalar dataType="xsd:string">2.661755</scalar>
                           <scalar dataType="xsd:string">-2.068027</scalar>
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                           <atom elementType="C" id="a11"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.223584</scalar>
                           <scalar dataType="xsd:string">1.092154</scalar>
                           <scalar dataType="xsd:string">-3.540081</scalar>
                        </list>
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                           <atom elementType="H" id="a12"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.092931</scalar>
                           <scalar dataType="xsd:string">1.28697</scalar>
                           <scalar dataType="xsd:string">-4.61173</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a13"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.122394</scalar>
                           <scalar dataType="xsd:string">1.258251</scalar>
                           <scalar dataType="xsd:string">-2.894835</scalar>
                        </list>
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                           <atom elementType="C" id="a14"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.536148</scalar>
                           <scalar dataType="xsd:string">0.484851</scalar>
                           <scalar dataType="xsd:string">-1.816968</scalar>
                        </list>
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                           <atom elementType="H" id="a15"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.041569</scalar>
                           <scalar dataType="xsd:string">-0.468738</scalar>
                           <scalar dataType="xsd:string">-1.640717</scalar>
                        </list>
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                           <scalar dataType="xsd:string">-1.010923</scalar>
                           <scalar dataType="xsd:string">1.16515</scalar>
                           <scalar dataType="xsd:string">-0.789575</scalar>
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                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.585637</scalar>
                           <scalar dataType="xsd:string">0.536618</scalar>
                           <scalar dataType="xsd:string">-1.528081</scalar>
                        </list>
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                           <atom elementType="C" id="a18"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.478409</scalar>
                           <scalar dataType="xsd:string">-0.448719</scalar>
                           <scalar dataType="xsd:string">-1.985402</scalar>
                        </list>
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                           <atom elementType="H" id="a19"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.271716</scalar>
                           <scalar dataType="xsd:string">-1.146307</scalar>
                           <scalar dataType="xsd:string">-1.734101</scalar>
                        </list>
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                           <atom elementType="C" id="a20"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.676248</scalar>
                           <scalar dataType="xsd:string">1.841014</scalar>
                           <scalar dataType="xsd:string">-2.135758</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a21"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.838782</scalar>
                           <scalar dataType="xsd:string">2.907826</scalar>
                           <scalar dataType="xsd:string">-2.011571</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a22"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.44507</scalar>
                           <scalar dataType="xsd:string">-1.437845</scalar>
                           <scalar dataType="xsd:string">-3.761893</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a23"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.98264</scalar>
                           <scalar dataType="xsd:string">-2.372862</scalar>
                           <scalar dataType="xsd:string">-3.66353</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="Cl" id="a24"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.112887</scalar>
                           <scalar dataType="xsd:string">-1.622134</scalar>
                           <scalar dataType="xsd:string">-4.537905</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a25"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.954275</scalar>
                           <scalar dataType="xsd:string">2.389968</scalar>
                           <scalar dataType="xsd:string">-3.390923</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a26"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.344295</scalar>
                           <scalar dataType="xsd:string">2.109941</scalar>
                           <scalar dataType="xsd:string">-4.381008</scalar>
                        </list>
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                           <atom elementType="H" id="a27"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.798487</scalar>
                           <scalar dataType="xsd:string">2.609927</scalar>
                           <scalar dataType="xsd:string">-2.73469</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a28"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.352055</scalar>
                           <scalar dataType="xsd:string">3.29326</scalar>
                           <scalar dataType="xsd:string">-3.542836</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a29"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.672939</scalar>
                           <scalar dataType="xsd:string">1.071552</scalar>
                           <scalar dataType="xsd:string">1.182262</scalar>
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                           <atom elementType="C" id="a30"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.402734</scalar>
                           <scalar dataType="xsd:string">0.417608</scalar>
                           <scalar dataType="xsd:string">1.196174</scalar>
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                           <atom elementType="C" id="a31"/>
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                           <scalar dataType="xsd:string">1.304261</scalar>
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                           <scalar dataType="xsd:string">3.699302</scalar>
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                           <scalar dataType="xsd:string">0.323993</scalar>
                           <scalar dataType="xsd:string">-1.442389</scalar>
                           <scalar dataType="xsd:string">1.465223</scalar>
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                           <scalar dataType="xsd:string">4.601202</scalar>
                           <scalar dataType="xsd:string">-1.66114</scalar>
                           <scalar dataType="xsd:string">1.828299</scalar>
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                           <scalar dataType="xsd:string">1.142913</scalar>
                           <scalar dataType="xsd:string">0.963987</scalar>
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