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        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"
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                  <scalar dataType="xsd:string">Gaussian 09</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">22-May-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">
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               <parameter dictRef="cc:nactiveatoms">
                  <scalar dataType="xsd:integer">65</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">65</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=methylbutanoate)</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>
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                        inline="InChI=1/C28H24N2O5.CH4O/c1-20-3-7-22(8-4-20)19-35-28(23-9-5-21(2)6-10-23,24-11-15-26(16-12-24)29(31)32)25-13-17-27(18-14-25)30(33)34;1-2/h3-18H,19H2,1-2H3;2H,1H3">
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                        <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="65">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="65">12 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 1 12 1 1 16 12 1 1 12 12 12 12 1 12 1 12 1 1 12 1 1 1 12 1 1 1 12 1 1 1 16 1 14 16 16 14 16 16</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="65">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 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 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 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 1.0078250 14.0030740 15.9949146 15.9949146 14.0030740 15.9949146 15.9949146</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="65">0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 1 0 1 1 0 0 1 1 0 0 0 0 1 0 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 0 0 2 0 0</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="65">0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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">65</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">T</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= 982 RedAO= T EigKep= 1.14D-06 NBF= 982</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 971 1.00D-06 EigRej= 9.31D-07 NBFU= 971</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">-0.0818803492</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">MethylButanoate</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">5.560700</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">1.925989</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="-0.326386"
                                 y3="-0.395749"
                                 z3="-0.273026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-1.701778"
                                 y3="-0.260249"
                                 z3="0.401174">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-2.654784"
                                 y3="0.574136"
                                 z3="-0.209579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-1.993092"
                                 y3="-0.818228"
                                 z3="1.65202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-3.880022"
                                 y3="0.820486"
                                 z3="0.396906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a6"
                                 x3="-2.425623"
                                 y3="1.054265"
                                 z3="-1.15444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="-3.219314"
                                 y3="-0.585905"
                                 z3="2.272012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="-1.264491"
                                 y3="-1.437605"
                                 z3="2.161181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="-4.149311"
                                 y3="0.226598"
                                 z3="1.630546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="-4.617244"
                                 y3="1.462398"
                                 z3="-0.068368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-3.451149"
                                 y3="-1.019308"
                                 z3="3.236607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="0.567908"
                                 y3="-1.512017"
                                 z3="0.297443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="1.918101"
                                 y3="-1.265485"
                                 z3="0.578253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="0.074151"
                                 y3="-2.82014"
                                 z3="0.431525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="2.753368"
                                 y3="-2.287932"
                                 z3="1.019523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="2.322423"
                                 y3="-0.270621"
                                 z3="0.439731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="0.89326"
                                 y3="-3.852548"
                                 z3="0.870354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-0.960015"
                                 y3="-3.036138"
                                 z3="0.185751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="2.227495"
                                 y3="-3.56947"
                                 z3="1.166225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="3.796064"
                                 y3="-2.101603"
                                 z3="1.244134">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a21"
                                 x3="0.516141"
                                 y3="-4.861274"
                                 z3="0.980833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a22"
                                 x3="-0.432497"
                                 y3="-0.677766"
                                 z3="-1.781584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a23"
                                 x3="0.573046"
                                 y3="-0.223589"
                                 z3="-2.643897">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a24"
                                 x3="-1.461723"
                                 y3="-1.464543"
                                 z3="-2.309785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="0.52892"
                                 y3="-0.525484"
                                 z3="-4.003638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="1.390495"
                                 y3="0.370323"
                                 z3="-2.250252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a27"
                                 x3="-1.495379"
                                 y3="-1.768558"
                                 z3="-3.670534">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="-2.250648"
                                 y3="-1.8383"
                                 z3="-1.664266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a29"
                                 x3="-0.506829"
                                 y3="-1.299505"
                                 z3="-4.544445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="1.3176"
                                 y3="-0.156075"
                                 z3="-4.65495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="-2.3085"
                                 y3="-2.37761"
                                 z3="-4.057968">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a32"
                                 x3="0.347446"
                                 y3="0.878127"
                                 z3="-0.169192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a33"
                                 x3="0.396368"
                                 y3="1.503794"
                                 z3="1.140491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a34"
                                 x3="-0.569487"
                                 y3="1.982486"
                                 z3="1.335959">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="0.563459"
                                 y3="0.74372"
                                 z3="1.910707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="1.517426"
                                 y3="2.505377"
                                 z3="1.115503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a37"
                                 x3="2.72853"
                                 y3="2.247007"
                                 z3="1.764951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="1.375468"
                                 y3="3.706184"
                                 z3="0.405092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a39"
                                 x3="3.77716"
                                 y3="3.167214"
                                 z3="1.706428">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="2.854642"
                                 y3="1.322541"
                                 z3="2.323989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a41"
                                 x3="2.426631"
                                 y3="4.617738"
                                 z3="0.344462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="0.442365"
                                 y3="3.912281"
                                 z3="-0.112344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a43"
                                 x3="3.644609"
                                 y3="4.366339"
                                 z3="0.995947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="4.710729"
                                 y3="2.949134"
                                 z3="2.219643">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="2.301692"
                                 y3="5.542484"
                                 z3="-0.214493">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a46"
                                 x3="4.766379"
                                 y3="5.376629"
                                 z3="0.949246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="4.857067"
                                 y3="5.826484"
                                 z3="-0.045706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.587166"
                                 y3="6.195492"
                                 z3="1.658286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="5.728055"
                                 y3="4.922133"
                                 z3="1.207914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a50"
                                 x3="-0.566677"
                                 y3="-1.594772"
                                 z3="-6.023818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a51"
                                 x3="-1.077899"
                                 y3="-0.786755"
                                 z3="-6.563581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="0.436154"
                                 y3="-1.688418"
                                 z3="-6.454075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a53"
                                 x3="-1.114579"
                                 y3="-2.520743"
                                 z3="-6.226448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a54"
                                 x3="-0.137782"
                                 y3="3.228526"
                                 z3="-2.936798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a55"
                                 x3="-0.696213"
                                 y3="4.017338"
                                 z3="-3.449809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a56"
                                 x3="0.837659"
                                 y3="3.637983"
                                 z3="-2.632341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a57"
                                 x3="0.035615"
                                 y3="2.405867"
                                 z3="-3.644895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a58"
                                 x3="-0.913676"
                                 y3="2.816374"
                                 z3="-1.81786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a59"
                                 x3="-0.409112"
                                 y3="2.1232"
                                 z3="-1.348124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a60"
                                 x3="3.099233"
                                 y3="-4.650706"
                                 z3="1.635005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a61"
                                 x3="4.275817"
                                 y3="-4.380107"
                                 z3="1.886164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a62"
                                 x3="2.612272"
                                 y3="-5.777126"
                                 z3="1.75617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a63"
                                 x3="-5.444734"
                                 y3="0.475637"
                                 z3="2.276239">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a64"
                                 x3="-5.660247"
                                 y3="-0.056454"
                                 z3="3.36705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a65"
                                 x3="-6.250614"
                                 y3="1.203952"
                                 z3="1.694222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a22" order="S"/>
                           <bond atomRefs2="a1 a32" order="S"/>
                           <bond atomRefs2="a1 a12" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a4 a8" order="S"/>
                           <bond atomRefs2="a4 a7" order="S"/>
                           <bond atomRefs2="a5 a10" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a7 a11" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a9 a63" order="S"/>
                           <bond atomRefs2="a12 a13" order="S"/>
                           <bond atomRefs2="a12 a14" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a15" order="S"/>
                           <bond atomRefs2="a14 a18" order="S"/>
                           <bond atomRefs2="a14 a17" 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 a60" order="S"/>
                           <bond atomRefs2="a22 a24" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a23 a25" order="S"/>
                           <bond atomRefs2="a23 a26" order="S"/>
                           <bond atomRefs2="a24 a28" order="S"/>
                           <bond atomRefs2="a24 a27" order="S"/>
                           <bond atomRefs2="a25 a30" order="S"/>
                           <bond atomRefs2="a25 a29" order="S"/>
                           <bond atomRefs2="a27 a31" order="S"/>
                           <bond atomRefs2="a27 a29" order="S"/>
                           <bond atomRefs2="a29 a50" order="S"/>
                           <bond atomRefs2="a32 a33" order="S"/>
                           <bond atomRefs2="a33 a35" order="S"/>
                           <bond atomRefs2="a33 a36" order="S"/>
                           <bond atomRefs2="a33 a34" order="S"/>
                           <bond atomRefs2="a36 a37" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a37 a39" order="S"/>
                           <bond atomRefs2="a37 a40" order="S"/>
                           <bond atomRefs2="a38 a42" order="S"/>
                           <bond atomRefs2="a38 a41" order="S"/>
                           <bond atomRefs2="a39 a43" order="S"/>
                           <bond atomRefs2="a39 a44" order="S"/>
                           <bond atomRefs2="a41 a43" order="S"/>
                           <bond atomRefs2="a41 a45" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a46 a47" order="S"/>
                           <bond atomRefs2="a46 a49" order="S"/>
                           <bond atomRefs2="a46 a48" order="S"/>
                           <bond atomRefs2="a50 a51" order="S"/>
                           <bond atomRefs2="a50 a53" order="S"/>
                           <bond atomRefs2="a50 a52" order="S"/>
                           <bond atomRefs2="a54 a55" order="S"/>
                           <bond atomRefs2="a54 a57" order="S"/>
                           <bond atomRefs2="a54 a58" order="S"/>
                           <bond atomRefs2="a54 a56" order="S"/>
                           <bond atomRefs2="a58 a59" order="S"/>
                           <bond atomRefs2="a60 a61" order="S"/>
                           <bond atomRefs2="a60 a62" order="S"/>
                           <bond atomRefs2="a63 a65" order="S"/>
                           <bond atomRefs2="a63 a64" order="S"/>
                        </bondArray>
                        <formula concise="C29H28N2O6"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">472.32009999999974</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C28H24N2O5.CH4O/c1-20-3-7-22(8-4-20)19-35-28(23-9-5-21(2)6-10-23,24-11-15-26(16-12-24)29(31)32)25-13-17-27(18-14-25)30(33)34;1-2/h3-18H,19H2,1-2H3;2H,1H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:46,50,39,41,25,27,37,38,23,24,3,4,13,14,5,7,15,17,33,43,29,36,22,2,12,9,19,1,63,60,64,65,61,62,32;54,58/E:(3,4)(5,6)(7,8)(9,10)(11,12,13,14)(15,16,17,18)(24,25)(26,27)(29,30)(31,32,33,34);/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,20.3,21.3,22.3,23.3,24.3,25.3,26.3,27.3,31.1,32.1,33.1,34.1;/rA:65nCC3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HHOCHHC3C3C3C3HC3HC3HHCHHHCHHHCHHHOHNO1O1NO1O1/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s15;s17;s1;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s1;s32;s33;s33;s33;s36;s36;s37;s37;s38;s38;s39s41;s39;s41;s43;s46;s46;s46;s29;s50;s50;s50;;s54;s54;s54;s54;s58;s19;s60;s60;s9;s63;s63;/rC:-.3264,-.3957,-.273;-1.7018,-.2602,.4012;-2.6548,.5741,-.2096;-1.9931,-.8182,1.652;-3.88,.8205,.3969;-2.4256,1.0543,-1.1544;-3.2193,-.5859,2.272;-1.2645,-1.4376,2.1612;-4.1493,.2266,1.6305;-4.6172,1.4624,-.0684;-3.4511,-1.0193,3.2366;.5679,-1.512,.2974;1.9181,-1.2655,.5783;.0742,-2.8201,.4315;2.7534,-2.2879,1.0195;2.3224,-.2706,.4397;.8933,-3.8525,.8704;-.96,-3.0361,.1858;2.2275,-3.5695,1.1662;3.7961,-2.1016,1.2441;.5161,-4.8613,.9808;-.4325,-.6778,-1.7816;.573,-.2236,-2.6439;-1.4617,-1.4645,-2.3098;.5289,-.5255,-4.0036;1.3905,.3703,-2.2503;-1.4954,-1.7686,-3.6705;-2.2506,-1.8383,-1.6643;-.5068,-1.2995,-4.5444;1.3176,-.1561,-4.655;-2.3085,-2.3776,-4.058;.3474,.8781,-.1692;.3964,1.5038,1.1405;-.5695,1.9825,1.336;.5635,.7437,1.9107;1.5174,2.5054,1.1155;2.7285,2.247,1.765;1.3755,3.7062,.4051;3.7772,3.1672,1.7064;2.8546,1.3225,2.324;2.4266,4.6177,.3445;.4424,3.9123,-.1123;3.6446,4.3663,.9959;4.7107,2.9491,2.2196;2.3017,5.5425,-.2145;4.7664,5.3766,.9492;4.8571,5.8265,-.0457;4.5872,6.1955,1.6583;5.7281,4.9221,1.2079;-.5667,-1.5948,-6.0238;-1.0779,-.7868,-6.5636;.4362,-1.6884,-6.4541;-1.1146,-2.5207,-6.2264;-.1378,3.2285,-2.9368;-.6962,4.0173,-3.4498;.8377,3.638,-2.6323;.0356,2.4059,-3.6449;-.9137,2.8164,-1.8179;-.4091,2.1232,-1.3481;3.0992,-4.6507,1.635;4.2758,-4.3801,1.8862;2.6123,-5.7771,1.7562;-5.4447,.4756,2.2762;-5.6602,-.0565,3.367;-6.2506,1.204,1.6942;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.0838504 0.0783548 0.0653462</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= 934 938 939 943 943 MxSgAt= 65 MxSgA2= 65.</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">-1682.11765134122</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1682.48792597590</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.370274634678</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.08781999999</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.599894024088</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.12527194897</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.037451948982</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14136550657</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.016093557597</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14305369623</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001688189661</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14329273458</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000239038351</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331102520</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000018290620</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331306489</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000002039690</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331357800</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000513111</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331363478</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000056783</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331363740</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002618</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331363846</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001056</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331363828</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000176</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331363833</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000048</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-1683.14331363844</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000108</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">-1683.14331364</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">16</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">1.675964495461e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-1.188813892671e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">4.545464107278e+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=     3395709 IEndB=     3395709 NGot=  2952790016 MDV=  2950696856</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">LenX=  2950696856 LenY=  2949657476</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">PT18682.100S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2024-05-22T17:48:08.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="127">-19.11780 -14.57038 -14.56936 -10.28168 -10.25347 -10.25166 -10.23932 -10.22462 -10.22347 -10.21535 -10.21470 -10.21455 -10.21334 -10.20941 -10.20838 -10.20776 -10.20564 -10.20484 -10.20145 -10.19524 -10.19384 -10.19187 -10.18902 -10.18646 -10.18616 -10.18390 -10.18327 -10.18202 -10.18143 -10.18065 -10.17264 -10.17179 -1.24891 -1.24758 -1.07542 -1.07394 -1.06940 -1.01633 -0.91107 -0.90517 -0.87966 -0.87092 -0.84676 -0.82453 -0.80576 -0.79085 -0.78673 -0.78424 -0.76007 -0.75774 -0.75606 -0.72703 -0.72011 -0.70134 -0.68015 -0.67185 -0.65219 -0.64796 -0.64551 -0.62211 -0.62101 -0.61216 -0.60443 -0.58720 -0.58621 -0.58130 -0.57909 -0.55467 -0.55366 -0.54289 -0.54090 -0.53649 -0.53059 -0.52841 -0.50843 -0.50570 -0.49433 -0.48937 -0.48537 -0.47870 -0.47407 -0.47154 -0.46922 -0.46515 -0.45959 -0.45742 -0.44426 -0.44323 -0.43961 -0.43789 -0.43315 -0.42792 -0.42661 -0.42581 -0.42491 -0.41264 -0.40771 -0.40223 -0.39757 -0.39229 -0.38905 -0.38462 -0.38020 -0.36931 -0.36591 -0.36457 -0.35616 -0.35367 -0.35052 -0.34810 -0.33718 -0.33704 -0.33614 -0.33605 -0.33372 -0.31749 -0.31658 -0.30578 -0.29604 -0.29194 -0.28921 -0.28851 -0.27913 -0.26701 -0.26578 -0.25523 -0.25144</array>
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                  </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="65">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="65">C C C C C H C H C H H C C C C H C H C H H C C C C H C H C H H O C H H C C C C H C H C H H C H H H C H H H C H H H O H N O O N O O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="65">1.479744 0.751445 -0.265283 -0.623304 -0.617876 0.203736 -0.468504 0.183082 0.228842 0.173653 0.172349 0.934024 -0.225304 -0.407374 -0.561116 0.177041 -0.476330 0.158979 -0.130810 0.173217 0.172818 0.740957 -0.604731 -0.341597 -0.333030 0.162694 -0.919496 0.145875 0.483487 0.131257 0.135346 0.006745 -0.517568 0.217780 0.176440 0.329949 -0.144453 0.031149 -0.782656 0.145308 -0.658061 0.169802 0.710500 0.134645 0.137684 -0.538632 0.152864 0.175067 0.147183 -0.467413 0.177239 0.153143 0.150346 -0.348525 0.148405 0.142453 0.154533 -0.408186 0.345623 -0.219672 -0.035589 -0.029628 -0.237529 -0.029554 -0.023187</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">3.4699 2.9002 -4.9016</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">6.6691</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-266.2679 -241.4457 -212.3196</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">44.5172 12.6917 11.0405</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-26.2568 -1.4346 27.6914 44.5172 12.6917 11.0405</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">272.1638 240.3304 -115.2474 -99.3099 83.9837 -158.0086 39.3904 -1.2745 -83.2594 55.9919</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-12630.3325 -10590.0368 -6192.6006 713.3373 805.2975 916.5369 335.4135 124.7498 27.3151 -3691.5818 -3279.1573 -2829.8778 198.6833 -289.9809 100.0890</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-KIMIK2117</scalar>
                           <formula concise="C 29.0 H 28.0 N 2.0 O 6.0" formalCharge="0">
                              <atomArray count="29.0 28.0 2.0 6.0" elementType="C H N O"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">EGARCIAP</scalar>
                           <scalar dataType="xsd:date">2024-05-22T00:00:00.000</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">0</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=-1683.1433136</scalar>
                           <scalar dataType="xsd:string">RMSD=7.373e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=1.3651591,1.1410366,-1.9284297</scalar>
                           <scalar dataType="xsd:string">Quadrupole=-19.5213042,-1.0666057,20.58791,33.0974438,9.4359442,8.2083748</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C29H28N2O6)]</scalar>
                        </list>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="C" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.326386</scalar>
                           <scalar dataType="xsd:string">-0.395749</scalar>
                           <scalar dataType="xsd:string">-0.273026</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.701778</scalar>
                           <scalar dataType="xsd:string">-0.260249</scalar>
                           <scalar dataType="xsd:string">0.401174</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.654784</scalar>
                           <scalar dataType="xsd:string">0.574136</scalar>
                           <scalar dataType="xsd:string">-0.209579</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.993092</scalar>
                           <scalar dataType="xsd:string">-0.818228</scalar>
                           <scalar dataType="xsd:string">1.65202</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-3.880022</scalar>
                           <scalar dataType="xsd:string">0.820486</scalar>
                           <scalar dataType="xsd:string">0.396906</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.425623</scalar>
                           <scalar dataType="xsd:string">1.054265</scalar>
                           <scalar dataType="xsd:string">-1.15444</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a7"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-3.219314</scalar>
                           <scalar dataType="xsd:string">-0.585905</scalar>
                           <scalar dataType="xsd:string">2.272012</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a8"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.264491</scalar>
                           <scalar dataType="xsd:string">-1.437605</scalar>
                           <scalar dataType="xsd:string">2.161181</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a9"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-4.149311</scalar>
                           <scalar dataType="xsd:string">0.226598</scalar>
                           <scalar dataType="xsd:string">1.630546</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a10"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-4.617244</scalar>
                           <scalar dataType="xsd:string">1.462398</scalar>
                           <scalar dataType="xsd:string">-0.068368</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a11"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-3.451149</scalar>
                           <scalar dataType="xsd:string">-1.019308</scalar>
                           <scalar dataType="xsd:string">3.236607</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a12"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.567908</scalar>
                           <scalar dataType="xsd:string">-1.512017</scalar>
                           <scalar dataType="xsd:string">0.297443</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a13"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.918101</scalar>
                           <scalar dataType="xsd:string">-1.265485</scalar>
                           <scalar dataType="xsd:string">0.578253</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a14"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.074151</scalar>
                           <scalar dataType="xsd:string">-2.82014</scalar>
                           <scalar dataType="xsd:string">0.431525</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a15"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.753368</scalar>
                           <scalar dataType="xsd:string">-2.287932</scalar>
                           <scalar dataType="xsd:string">1.019523</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a16"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.322423</scalar>
                           <scalar dataType="xsd:string">-0.270621</scalar>
                           <scalar dataType="xsd:string">0.439731</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a17"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.89326</scalar>
                           <scalar dataType="xsd:string">-3.852548</scalar>
                           <scalar dataType="xsd:string">0.870354</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a18"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.960015</scalar>
                           <scalar dataType="xsd:string">-3.036138</scalar>
                           <scalar dataType="xsd:string">0.185751</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a19"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.227495</scalar>
                           <scalar dataType="xsd:string">-3.56947</scalar>
                           <scalar dataType="xsd:string">1.166225</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a20"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.796064</scalar>
                           <scalar dataType="xsd:string">-2.101603</scalar>
                           <scalar dataType="xsd:string">1.244134</scalar>
                        </list>
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