<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:compchem="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="gaussian.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">12-Jul-2024</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">54</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">54</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">empiricaldispersion=gd3</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(pcm,solvent=ethanol)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scf=maxcyc=512</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-0.34894"
                        y3="-0.50332"
                        z3="-1.34517"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-1.42513"
                        y3="-1.45327"
                        z3="-0.84029"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-2.51079"
                        y3="-1.76358"
                        z3="-1.6745"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-1.43426"
                        y3="-1.96722"
                        z3="0.46033"/>
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                        id="a5"
                        x3="-3.55916"
                        y3="-2.56031"
                        z3="-1.23227"/>
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                        id="a6"
                        x3="-2.53363"
                        y3="-1.37157"
                        z3="-2.68879"/>
                  <atom elementType="C"
                        id="a7"
                        x3="-2.47934"
                        y3="-2.76924"
                        z3="0.92631"/>
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                        id="a8"
                        x3="-0.60578"
                        y3="-1.74859"
                        z3="1.12745"/>
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                        id="a9"
                        x3="-3.55126"
                        y3="-3.0701"
                        z3="0.07574"/>
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                        id="a10"
                        x3="-4.39438"
                        y3="-2.80473"
                        z3="-1.8816"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-2.44536"
                        y3="-3.14837"
                        z3="1.9409"/>
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                        id="a12"
                        x3="1.07016"
                        y3="-0.79519"
                        z3="-0.86258"/>
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                        x3="1.98509"
                        y3="0.24514"
                        z3="-0.66191"/>
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                        id="a14"
                        x3="1.54525"
                        y3="-2.1020"
                        z3="-0.6961"/>
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                        x3="3.30432"
                        y3="0.00439"
                        z3="-0.2887"/>
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                        id="a16"
                        x3="1.65331"
                        y3="1.27015"
                        z3="-0.79357"/>
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                        id="a17"
                        x3="2.8634"
                        y3="-2.36469"
                        z3="-0.33248"/>
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                        id="a18"
                        x3="0.87228"
                        y3="-2.94192"
                        z3="-0.84525"/>
                  <atom elementType="C"
                        id="a19"
                        x3="3.78849"
                        y3="-1.3147"
                        z3="-0.12176"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.95723"
                        y3="0.85435"
                        z3="-0.13007"/>
                  <atom elementType="H"
                        id="a21"
                        x3="3.16611"
                        y3="-3.39752"
                        z3="-0.20876"/>
                  <atom elementType="N"
                        id="a22"
                        x3="5.11172"
                        y3="-1.56746"
                        z3="0.21915"/>
                  <atom elementType="C"
                        id="a23"
                        x3="5.9404"
                        y3="-0.46331"
                        z3="0.68303"/>
                  <atom elementType="C"
                        id="a24"
                        x3="5.4850"
                        y3="-2.91145"
                        z3="0.63798"/>
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                        id="a25"
                        x3="5.53605"
                        y3="0.02203"
                        z3="1.5857"/>
                  <atom elementType="H"
                        id="a26"
                        x3="6.04528"
                        y3="0.30118"
                        z3="-0.09509"/>
                  <atom elementType="H"
                        id="a27"
                        x3="4.92929"
                        y3="-3.24935"
                        z3="1.5273"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.31038"
                        y3="-3.63479"
                        z3="-0.16645"/>
                  <atom elementType="C"
                        id="a29"
                        x3="-4.66858"
                        y3="-4.38981"
                        z3="1.73266"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-3.81641"
                        y3="-5.05501"
                        z3="1.92045"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-4.68643"
                        y3="-3.59992"
                        z3="2.49399"/>
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                        id="a32"
                        x3="-0.71106"
                        y3="0.87662"
                        z3="-1.12364"/>
                  <atom elementType="C"
                        id="a33"
                        x3="-0.98502"
                        y3="1.2348"
                        z3="0.23846"/>
                  <atom elementType="H"
                        id="a34"
                        x3="-1.97383"
                        y3="0.85532"
                        z3="0.52998"/>
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                        id="a35"
                        x3="-0.24456"
                        y3="0.78411"
                        z3="0.9116"/>
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                        id="a36"
                        x3="-0.93522"
                        y3="2.73677"
                        z3="0.3336"/>
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                        id="a37"
                        x3="0.20252"
                        y3="3.39204"
                        z3="0.81774"/>
                  <atom elementType="C"
                        id="a38"
                        x3="-2.01446"
                        y3="3.5126"
                        z3="-0.10772"/>
                  <atom elementType="C"
                        id="a39"
                        x3="0.25777"
                        y3="4.78614"
                        z3="0.86484"/>
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                        id="a40"
                        x3="1.05326"
                        y3="2.80618"
                        z3="1.15859"/>
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                        id="a41"
                        x3="-1.95706"
                        y3="4.90485"
                        z3="-0.06327"/>
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                        id="a42"
                        x3="-2.90442"
                        y3="3.01926"
                        z3="-0.49202"/>
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                        id="a43"
                        x3="-0.8209"
                        y3="5.56607"
                        z3="0.42716"/>
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                        id="a44"
                        x3="1.15139"
                        y3="5.27536"
                        z3="1.24597"/>
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                        id="a45"
                        x3="-2.80561"
                        y3="5.48938"
                        z3="-0.41212"/>
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                        id="a46"
                        x3="-0.77609"
                        y3="7.07429"
                        z3="0.50757"/>
                  <atom elementType="H"
                        id="a47"
                        x3="-1.33854"
                        y3="7.53585"
                        z3="-0.31126"/>
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                        id="a48"
                        x3="-1.21888"
                        y3="7.4320"
                        z3="1.44669"/>
                  <atom elementType="H"
                        id="a49"
                        x3="0.25269"
                        y3="7.44744"
                        z3="0.46961"/>
                  <atom elementType="H"
                        id="a50"
                        x3="-5.5948"
                        y3="-4.96412"
                        z3="1.78489"/>
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                        id="a51"
                        x3="6.93967"
                        y3="-0.83756"
                        z3="0.91166"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.55113"
                        y3="-2.93057"
                        z3="0.87004"/>
                  <atom elementType="H"
                        id="a53"
                        x3="-0.35033"
                        y3="-0.56322"
                        z3="-2.44134"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.62203"
                        y3="-3.84332"
                        z3="0.41626"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a53" order="S"/>
                  <bond atomRefs2="a1 a12" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a32" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a9 a54" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a52" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a54" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a40" order="S"/>
                  <bond atomRefs2="a37 a39" order="S"/>
                  <bond atomRefs2="a38 a41" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
               </bondArray>
               <formula concise="C24H27NO2"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">334.26229999999987</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C24H27NO2/c1-18-5-7-19(8-6-18)17-27-24(21-11-15-23(26-4)16-12-21)20-9-13-22(14-10-20)25(2)3/h5-16,24H,17H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:46,23,24,29,39,41,37,38,13,14,3,4,15,17,5,7,33,43,36,12,2,19,9,1,22,54,32/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3/rA:54nCC3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HHNCCHHHHCHHOCHHC3C3C3C3HC3HC3HHCHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s15;s17;s19;s22;s22;s23;s23;s24;s24;;s29;s29;s1;s32;s33;s33;s33;s36;s36;s37;s37;s38;s38;s39s41;s39;s41;s43;s46;s46;s46;s29;s23;s24;s1;s9s29;/rC:-.3489,-.5033,-1.3452;-1.4251,-1.4533,-.8403;-2.5108,-1.7636,-1.6745;-1.4343,-1.9672,.4603;-3.5592,-2.5603,-1.2323;-2.5336,-1.3716,-2.6888;-2.4793,-2.7692,.9263;-.6058,-1.7486,1.1275;-3.5513,-3.0701,.0757;-4.3944,-2.8047,-1.8816;-2.4454,-3.1484,1.9409;1.0702,-.7952,-.8626;1.9851,.2451,-.6619;1.5453,-2.102,-.6961;3.3043,.0044,-.2887;1.6533,1.2701,-.7936;2.8634,-2.3647,-.3325;.8723,-2.9419,-.8452;3.7885,-1.3147,-.1218;3.9572,.8544,-.1301;3.1661,-3.3975,-.2088;5.1117,-1.5675,.2192;5.9404,-.4633,.683;5.485,-2.9114,.638;5.5361,.022,1.5857;6.0453,.3012,-.0951;4.9293,-3.2494,1.5273;5.3104,-3.6348,-.1664;-4.6686,-4.3898,1.7327;-3.8164,-5.055,1.9204;-4.6864,-3.5999,2.494;-.7111,.8766,-1.1236;-.985,1.2348,.2385;-1.9738,.8553,.53;-.2446,.7841,.9116;-.9352,2.7368,.3336;.2025,3.392,.8177;-2.0145,3.5126,-.1077;.2578,4.7861,.8648;1.0533,2.8062,1.1586;-1.9571,4.9048,-.0633;-2.9044,3.0193,-.492;-.8209,5.5661,.4272;1.1514,5.2754,1.246;-2.8056,5.4894,-.4121;-.7761,7.0743,.5076;-1.3385,7.5358,-.3113;-1.2189,7.432,1.4467;.2527,7.4474,.4696;-5.5948,-4.9641,1.7849;6.9397,-.8376,.9117;6.5511,-2.9306,.87;-.3503,-.5632,-2.4413;-4.622,-3.8433,.4163;</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-102461.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=24</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) empiricaldispersion=gd3 scrf=(pcm,solvent=ethano</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=4,74=-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=512,38=5,53=4/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/5=1,9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Single point</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">12 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 1 12 1 1 14 12 12 1 1 1 1 12 1 1 16 12 1 1 12 12 12 12 1 12 1 12 1 1 12 1 1 1 1 1 1 1 16</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="54">12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="54">0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 1 0 1 1 2 0 0 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 0</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="54">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">54</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= 756 RedAO= T EigKep= 1.09D-06 NBF= 756</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 750 1.00D-06 EigRej= 8.73D-07 NBFU= 750</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">-0.0538671610</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">Ethanol</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">24.852000</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.852593</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="C"
                                 id="a1"
                                 x3="-0.34894"
                                 y3="-0.503316"
                                 z3="-1.345171">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-1.425131"
                                 y3="-1.453268"
                                 z3="-0.840289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-2.510785"
                                 y3="-1.763576"
                                 z3="-1.6745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-1.434255"
                                 y3="-1.967219"
                                 z3="0.460326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-3.559156"
                                 y3="-2.560306"
                                 z3="-1.232273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a6"
                                 x3="-2.533633"
                                 y3="-1.37157"
                                 z3="-2.688787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-2.479341"
                                 y3="-2.769242"
                                 z3="0.926313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="-0.60578"
                                 y3="-1.748588"
                                 z3="1.127454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-3.55126"
                                 y3="-3.070104"
                                 z3="0.075741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="-4.394382"
                                 y3="-2.804727"
                                 z3="-1.881598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-2.445359"
                                 y3="-3.148369"
                                 z3="1.940904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="1.070163"
                                 y3="-0.795193"
                                 z3="-0.862576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="1.985092"
                                 y3="0.245142"
                                 z3="-0.661909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="1.545249"
                                 y3="-2.102004"
                                 z3="-0.696099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="3.304316"
                                 y3="0.004392"
                                 z3="-0.288704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="1.653312"
                                 y3="1.270149"
                                 z3="-0.793565">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="2.863398"
                                 y3="-2.36469"
                                 z3="-0.332479">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="0.872278"
                                 y3="-2.941922"
                                 z3="-0.845252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="3.788491"
                                 y3="-1.314699"
                                 z3="-0.121764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="3.957226"
                                 y3="0.854352"
                                 z3="-0.130065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="3.166114"
                                 y3="-3.397518"
                                 z3="-0.208756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a22"
                                 x3="5.11172"
                                 y3="-1.567464"
                                 z3="0.219154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a23"
                                 x3="5.940395"
                                 y3="-0.463307"
                                 z3="0.683025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a24"
                                 x3="5.484996"
                                 y3="-2.911453"
                                 z3="0.637984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="5.536052"
                                 y3="0.02203"
                                 z3="1.585704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="6.045281"
                                 y3="0.301178"
                                 z3="-0.095092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="4.929294"
                                 y3="-3.249354"
                                 z3="1.527301">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.310376"
                                 y3="-3.634786"
                                 z3="-0.166447">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a29"
                                 x3="-4.668577"
                                 y3="-4.389812"
                                 z3="1.73266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-3.816406"
                                 y3="-5.055012"
                                 z3="1.920449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-4.686429"
                                 y3="-3.599924"
                                 z3="2.493991">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a32"
                                 x3="-0.711064"
                                 y3="0.876624"
                                 z3="-1.123641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a33"
                                 x3="-0.985022"
                                 y3="1.234799"
                                 z3="0.238457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-1.973826"
                                 y3="0.855321"
                                 z3="0.529984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="-0.244563"
                                 y3="0.784111"
                                 z3="0.911595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="-0.935215"
                                 y3="2.736774"
                                 z3="0.333603">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="0.202519"
                                 y3="3.392036"
                                 z3="0.817735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="-2.014457"
                                 y3="3.512601"
                                 z3="-0.107719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a39"
                                 x3="0.257774"
                                 y3="4.786139"
                                 z3="0.864836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="1.053259"
                                 y3="2.806181"
                                 z3="1.158591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a41"
                                 x3="-1.957064"
                                 y3="4.904849"
                                 z3="-0.06327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="-2.904415"
                                 y3="3.019262"
                                 z3="-0.492015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a43"
                                 x3="-0.820903"
                                 y3="5.566074"
                                 z3="0.427155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.151393"
                                 y3="5.275363"
                                 z3="1.24597">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="-2.805605"
                                 y3="5.489377"
                                 z3="-0.412117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a46"
                                 x3="-0.776091"
                                 y3="7.074286"
                                 z3="0.507572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="-1.338541"
                                 y3="7.535851"
                                 z3="-0.311255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="-1.218876"
                                 y3="7.431997"
                                 z3="1.446693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="0.252689"
                                 y3="7.447443"
                                 z3="0.469613">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="-5.594796"
                                 y3="-4.964124"
                                 z3="1.784891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a51"
                                 x3="6.93967"
                                 y3="-0.837559"
                                 z3="0.911661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="6.551134"
                                 y3="-2.930566"
                                 z3="0.870044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a53"
                                 x3="-0.350325"
                                 y3="-0.563223"
                                 z3="-2.441341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a54"
                                 x3="-4.622033"
                                 y3="-3.843316"
                                 z3="0.416255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a53" order="S"/>
                           <bond atomRefs2="a1 a12" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a32" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a4 a7" order="S"/>
                           <bond atomRefs2="a4 a8" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a5 a10" order="S"/>
                           <bond atomRefs2="a7 a11" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a9 a54" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a13 a15" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a14 a17" order="S"/>
                           <bond atomRefs2="a14 a18" order="S"/>
                           <bond atomRefs2="a15 a20" order="S"/>
                           <bond atomRefs2="a15 a19" order="S"/>
                           <bond atomRefs2="a17 a21" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a19 a22" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a22 a24" order="S"/>
                           <bond atomRefs2="a23 a26" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a23 a51" order="S"/>
                           <bond atomRefs2="a24 a28" order="S"/>
                           <bond atomRefs2="a24 a52" order="S"/>
                           <bond atomRefs2="a24 a27" order="S"/>
                           <bond atomRefs2="a29 a30" order="S"/>
                           <bond atomRefs2="a29 a31" order="S"/>
                           <bond atomRefs2="a29 a50" order="S"/>
                           <bond atomRefs2="a29 a54" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a33 a36" order="S"/>
                           <bond atomRefs2="a33 a34" order="S"/>
                           <bond atomRefs2="a33 a35" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a37" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a37 a39" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a39 a44" order="S"/>
                           <bond atomRefs2="a39 a43" order="S"/>
                           <bond atomRefs2="a41 a43" order="S"/>
                           <bond atomRefs2="a41 a45" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a48" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                           <bond atomRefs2="a46 a49" order="S"/>
                        </bondArray>
                        <formula concise="C24H27NO2"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">334.26229999999987</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C24H27NO2/c1-18-5-7-19(8-6-18)17-27-24(21-11-15-23(26-4)16-12-21)20-9-13-22(14-10-20)25(2)3/h5-16,24H,17H2,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:46,23,24,29,39,41,37,38,13,14,3,4,15,17,5,7,33,43,36,12,2,19,9,1,22,54,32/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,18.3,19.3,20.3,21.3,22.3,23.3/rA:54nCC3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HHNCCHHHHCHHOCHHC3C3C3C3HC3HC3HHCHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s15;s17;s19;s22;s22;s23;s23;s24;s24;;s29;s29;s1;s32;s33;s33;s33;s36;s36;s37;s37;s38;s38;s39s41;s39;s41;s43;s46;s46;s46;s29;s23;s24;s1;s9s29;/rC:-.3489,-.5033,-1.3452;-1.4251,-1.4533,-.8403;-2.5108,-1.7636,-1.6745;-1.4343,-1.9672,.4603;-3.5592,-2.5603,-1.2323;-2.5336,-1.3716,-2.6888;-2.4793,-2.7692,.9263;-.6058,-1.7486,1.1275;-3.5513,-3.0701,.0757;-4.3944,-2.8047,-1.8816;-2.4454,-3.1484,1.9409;1.0702,-.7952,-.8626;1.9851,.2451,-.6619;1.5452,-2.102,-.6961;3.3043,.0044,-.2887;1.6533,1.2701,-.7936;2.8634,-2.3647,-.3325;.8723,-2.9419,-.8453;3.7885,-1.3147,-.1218;3.9572,.8544,-.1301;3.1661,-3.3975,-.2088;5.1117,-1.5675,.2192;5.9404,-.4633,.683;5.485,-2.9115,.638;5.5361,.022,1.5857;6.0453,.3012,-.0951;4.9293,-3.2494,1.5273;5.3104,-3.6348,-.1664;-4.6686,-4.3898,1.7327;-3.8164,-5.055,1.9204;-4.6864,-3.5999,2.494;-.7111,.8766,-1.1236;-.985,1.2348,.2385;-1.9738,.8553,.53;-.2446,.7841,.9116;-.9352,2.7368,.3336;.2025,3.392,.8177;-2.0145,3.5126,-.1077;.2578,4.7861,.8648;1.0533,2.8062,1.1586;-1.9571,4.9048,-.0633;-2.9044,3.0193,-.492;-.8209,5.5661,.4272;1.1514,5.2754,1.246;-2.8056,5.4894,-.4121;-.7761,7.0743,.5076;-1.3385,7.5359,-.3113;-1.2189,7.432,1.4467;.2527,7.4474,.4696;-5.5948,-4.9641,1.7849;6.9397,-.8376,.9117;6.5511,-2.9306,.87;-.3503,-.5632,-2.4413;-4.622,-3.8433,.4163;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.1446953 0.1340481 0.0749584</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= 743 743 743 743 743 MxSgAt= 54 MxSgA2= 54.</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">-1135.70385870650</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.00766052791</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.303801821405</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.33185391900</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.324193391092</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34215726450</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.010303345498</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34750077377</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.005343509269</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34775086624</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000250092470</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34779991909</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000049052852</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780140615</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000001487060</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780163651</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000230368</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780164721</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000010698</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780164923</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002014</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780164914</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000091</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780164924</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000109</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1136.34780164914</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000104</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">-1136.34780165</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">14</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.131077631877e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-7.257695383240e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">2.683181284586e+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=     2129095 IEndB=     2129095 NGot=  5502926848 MDV=  5501674794</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  5501674794 LenY=  5501060922</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 512 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">PT5487.800S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2024-07-12T09:43:49.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="92">-10.22497 -10.21948 -10.21707 -10.19803 -10.19801 -10.18903 -10.18386 -10.18386 -10.18378 -10.18204 -10.18133 -10.17932 -10.17874 -10.17874 -10.17660 -10.17658 -10.17522 -10.17426 -10.17284 -10.17055 -10.17004 -10.16835 -1.07696 -1.03679 -0.95074 -0.86850 -0.86413 -0.85039 -0.79758 -0.77963 -0.76037 -0.75460 -0.75182 -0.75094 -0.72599 -0.72053 -0.70803 -0.68091 -0.65904 -0.63239 -0.62014 -0.61565 -0.60645 -0.59064 -0.57969 -0.56909 -0.54212 -0.53070 -0.51222 -0.50409 -0.49773 -0.48647 -0.48043 -0.47837 -0.47470 -0.46550 -0.46250 -0.45492 -0.45205 -0.44904 -0.43270 -0.42901 -0.42526 -0.42288 -0.42248 -0.42041 -0.41899 -0.41240 -0.40529 -0.39542 -0.39451 -0.38728 -0.38441 -0.38013 -0.37317 -0.36774 -0.36227 -0.35919 -0.34915 -0.34355 -0.34031 -0.33627 -0.33114 -0.31980 -0.28702 -0.27431 -0.26549 -0.26071 -0.25690 -0.25052 -0.23193 -0.19913</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="653">-0.02744 -0.02476 -0.02126 -0.01438 -0.01102 -0.00744 -0.00073 0.00588 0.00833 0.01813 0.01970 0.02155 0.02405 0.02939 0.03162 0.03619 0.03725 0.03887 0.04384 0.04493 0.04717 0.04794 0.05598 0.05751 0.05866 0.06111 0.06566 0.06687 0.07191 0.07813 0.07956 0.08095 0.08578 0.08834 0.09077 0.09191 0.09613 0.10281 0.10564 0.10622 0.10881 0.11165 0.11222 0.11545 0.11799 0.12166 0.12505 0.12744 0.12965 0.13171 0.13626 0.13679 0.13845 0.14070 0.14401 0.14522 0.14757 0.14815 0.15293 0.15690 0.16032 0.16159 0.16341 0.16502 0.16708 0.17068 0.17295 0.17529 0.18047 0.18290 0.18431 0.18757 0.18776 0.18916 0.19459 0.19671 0.19901 0.20120 0.20187 0.20308 0.20646 0.20733 0.20944 0.21001 0.21106 0.21358 0.21652 0.21881 0.22098 0.22295 0.22591 0.22722 0.22872 0.23166 0.23207 0.23495 0.23547 0.23964 0.24056 0.24292 0.24578 0.24680 0.24846 0.25474 0.25558 0.25836 0.26406 0.26470 0.26640 0.26833 0.26917 0.27011 0.27569 0.27590 0.27977 0.28313 0.28412 0.28606 0.28783 0.29026 0.29168 0.29464 0.29559 0.29835 0.30248 0.30500 0.30950 0.31107 0.31326 0.31609 0.31857 0.32122 0.32179 0.32290 0.32602 0.32774 0.33609 0.34142 0.34198 0.34323 0.34798 0.35204 0.35491 0.35804 0.36422 0.36840 0.37142 0.37258 0.37685 0.38593 0.38764 0.39128 0.39856 0.40387 0.41484 0.41884 0.42454 0.43348 0.43628 0.44087 0.44326 0.45485 0.46346 0.47095 0.47447 0.47868 0.48217 0.49187 0.50499 0.50533 0.51460 0.51754 0.52344 0.52918 0.53096 0.53532 0.54589 0.54821 0.54905 0.55045 0.55580 0.56263 0.56596 0.57388 0.57552 0.57669 0.58140 0.59249 0.59608 0.60055 0.61003 0.61063 0.61732 0.61824 0.62241 0.62746 0.63191 0.63459 0.63715 0.64193 0.64417 0.64613 0.64733 0.64897 0.65177 0.65726 0.66217 0.66400 0.66548 0.66737 0.67270 0.67999 0.68100 0.68339 0.69167 0.69436 0.69586 0.69917 0.70521 0.70964 0.71223 0.71447 0.71765 0.71847 0.72473 0.72678 0.73121 0.73351 0.73454 0.73887 0.74349 0.75058 0.75115 0.75191 0.75681 0.75912 0.76160 0.76578 0.77414 0.78207 0.78436 0.79178 0.79420 0.79829 0.80243 0.81180 0.81649 0.83183 0.83813 0.84351 0.85258 0.86175 0.86586 0.87357 0.87717 0.87981 0.88292 0.89175 0.89424 0.89818 0.90467 0.91169 0.91909 0.92281 0.92442 0.92872 0.93639 0.94301 0.95369 0.95853 0.96830 0.97218 0.97381 0.97873 0.97920 0.99794 1.00694 1.01231 1.01427 1.01844 1.02084 1.02758 1.03034 1.03545 1.03997 1.04252 1.04888 1.06102 1.06477 1.07133 1.07588 1.07896 1.08529 1.08643 1.09256 1.10260 1.10774 1.11322 1.11700 1.13537 1.13958 1.14046 1.14639 1.16470 1.17245 1.18080 1.20123 1.20737 1.25025 1.26168 1.26894 1.28338 1.28601 1.29496 1.31569 1.32432 1.34513 1.35832 1.36527 1.37665 1.38549 1.39105 1.40268 1.41187 1.42176 1.43636 1.45082 1.45422 1.46428 1.47131 1.47853 1.48058 1.48744 1.49295 1.49380 1.50499 1.51233 1.51704 1.52044 1.52933 1.53055 1.53174 1.53710 1.53905 1.54688 1.55385 1.55555 1.55876 1.56211 1.56833 1.57141 1.57644 1.57801 1.58160 1.58818 1.59371 1.59759 1.59942 1.60284 1.60687 1.61287 1.62170 1.63244 1.64064 1.64836 1.65308 1.65750 1.66067 1.67614 1.67830 1.68083 1.68953 1.69842 1.69992 1.70254 1.70992 1.71219 1.71994 1.72306 1.73255 1.74141 1.74529 1.75192 1.75917 1.77113 1.77730 1.78141 1.78861 1.79140 1.79811 1.79908 1.81417 1.82083 1.83061 1.83611 1.83848 1.84531 1.85938 1.86658 1.88253 1.88491 1.89312 1.89772 1.90461 1.91126 1.91635 1.92274 1.92684 1.92919 1.93855 1.94420 1.95174 1.95649 1.96233 1.97075 1.97695 1.98473 1.99262 2.00436 2.00602 2.01336 2.01644 2.02055 2.03041 2.03545 2.04276 2.04480 2.05841 2.06803 2.07248 2.07755 2.08210 2.08867 2.09811 2.10626 2.11393 2.11732 2.13138 2.13779 2.14376 2.15563 2.17167 2.18148 2.18994 2.19967 2.20705 2.21843 2.22749 2.23916 2.25287 2.26079 2.26955 2.29446 2.31630 2.32145 2.32517 2.33221 2.33982 2.34563 2.37373 2.38315 2.39406 2.40531 2.41301 2.41350 2.42279 2.43014 2.43475 2.43757 2.44139 2.44887 2.45196 2.47042 2.48044 2.49335 2.49552 2.50540 2.51666 2.51870 2.52084 2.53127 2.54313 2.54676 2.55431 2.57094 2.58558 2.59148 2.61138 2.61412 2.62613 2.63067 2.63731 2.64265 2.65021 2.65585 2.67696 2.68680 2.68832 2.69377 2.69815 2.70320 2.70884 2.72365 2.72726 2.72900 2.73379 2.73936 2.74663 2.75877 2.76362 2.77503 2.77882 2.78033 2.78442 2.78946 2.79340 2.80606 2.81218 2.81553 2.82512 2.82716 2.83414 2.84198 2.84640 2.86241 2.86557 2.87091 2.87591 2.88988 2.90215 2.90709 2.91950 2.92498 2.93209 2.93811 2.94242 2.94694 2.95053 2.96063 2.96461 2.96649 2.97456 2.99110 3.00826 3.04328 3.04795 3.05584 3.06502 3.07872 3.08404 3.09777 3.10404 3.12291 3.13353 3.15625 3.16661 3.18493 3.19419 3.20851 3.21828 3.23502 3.23878 3.25460 3.27039 3.28286 3.34317 3.36270 3.37652 3.37938 3.40467 3.42871 3.45583 3.48398 3.50341 3.51746 3.53033 3.53255 3.57749 3.58956 3.59582 3.62947 3.63242 3.64335 3.67144 3.69989 3.72068 3.75730 3.76508 3.76900 3.78515 3.79890 3.80777 3.81990 3.82826 3.83586 3.84301 3.93909 3.99266 3.99498 3.99889 4.03206 4.06239 4.08075 4.09824 4.15237 4.15582 4.16041 4.17007 4.18108 4.21031 4.23720 4.27915 4.31935 4.40012 4.45629 4.84551 4.84573 4.86054 4.90833 5.01766 5.05861 5.22041 5.38628 5.42294 5.69686 5.77374 23.60119 23.62062 23.67073 23.85666 23.89241 23.90520 23.90647 23.92163 23.94209 23.95149 23.95696 23.96003 23.96215 23.97112 23.98755 24.03982 24.05824 24.06562 24.09317 24.10179 24.11460 24.17565 24.17737 24.18573 35.61059 49.95341 49.98463</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="54">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="54">C C C C C H C H C H H C C C C H C H C H H N C C H H H H C H H O C H H C C C C H C H C H H C H H H H H H H O</array>
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