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               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/usr/local/g16/l1.exe "/home/sgervasoni/tildipirosin_+3/chgs/Gau-8300.inp" -scrdir="/home/sgervasoni/tildipirosin_+3/chgs/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">NProcShared=64</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=54Gb</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#B3LYP/6-31G(d,p) SCF=Tight Pop=(ESP,Dipole,Regular) Iop(6/33=2) Iop(6</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/38=1,172=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,24=10,25=1,30=1,74=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,32=2,38=5/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/15=24,28=1,33=2,42=6,50=1/1,2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/5=1,9=1/99</scalar>
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               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">partial charges</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101">Stoichiometry    C41H74N3O8(3+)</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Framework group  C1[X(C41H74N3O8)]</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Deg. of freedom   372</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Full point group                 C1      NOp   1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Largest Abelian subgroup         C1      NOp   1</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">Largest concise Abelian subgroup C1      NOp   1</scalar>
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               </module>
               <module cmlx:templateRef="l301.basis" dictRef="g:primbasis">
                  <list cmlx:templateRef="symmadaptcart">
                     <array dataType="xsd:integer" dictRef="cc:adapted" size="1">1150</array>
                     <array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
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                  <list cmlx:templateRef="symmadapt">
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                     <array dataType="xsd:string" dictRef="cc:symm" size="1">A</array>
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                  <scalar dataType="xsd:integer" dictRef="g:primbasis">1974</scalar>
                  <scalar dataType="xsd:integer" dictRef="cc:cartesianbasis">1150</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener">8460.6433080193</scalar>
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">126</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>
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                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="3" id="mol.l202.orient" spinMultiplicity="1">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.0725098 0.0369878 0.0334796</array>
                  </module>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">14</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-2372.17401021</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT18994.400S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Thu Dec  4 10:54:29 2025</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
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                     <module cmlx:templateRef="l601.state">
                        <scalar dataType="xsd:string" dictRef="g:l601.state">1-A.</scalar>
                     </module>
                     <module cmlx:templateRef="l601.orbital.closedshell">
                        <module cmlx:templateRef="coeff">
                           <list cmlx:templateRef="serial">
                              <array dataType="xsd:integer" dictRef="cc:serial" size="10">197 198 199 200 201 202 203 204 205 206</array>
                           </list>
                           <list cmlx:templateRef="occupation">
                              <array dataType="xsd:string" delimiter="|" dictRef="cc:occupation" size="10">O|O|O|O|O|V|V|V|V|V</array>
                           </list>
                           <list cmlx:templateRef="eigenvalues">
                              <array dataType="xsd:double" dictRef="cc:eigenvalues" size="10">-0.50816 -0.50754 -0.49822 -0.48998 -0.47693 -0.30217 -0.25011 -0.22417 -0.22130 -0.21915</array>
                           </list>
                           <list cmlx:templateRef="row">
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">1   O  1S</scalar>
                                 <array dataType="xsd:double" dictRef="x:floatArr" size="10">-0.00298 0.00417 0.00265 0.00508 -0.00019 -0.00251 0.00251 -0.00444 0.00008 -0.00600</array>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">2</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">3</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">4</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                                 <array cmlx:idx="4" dataType="xsd:double" dictRef="x:floatArr" size="5">0.38390 -0.15869 -0.05634 -0.00038 0.01028</array>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">5</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                                 <array cmlx:idx="5" dataType="xsd:double" dictRef="x:floatArr" size="5">0.06302 -0.04194 -0.00992 0.00651 -0.01097</array>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">6</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                                 <array cmlx:idx="6" dataType="xsd:double" dictRef="x:floatArr" size="5">0.00838 -0.02062 -0.01462 -0.02376 0.00303</array>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">7</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                                 <array cmlx:idx="7" dataType="xsd:double" dictRef="x:floatArr" size="5">0.07518 -0.04520 -0.02827 -0.03601 0.02129</array>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">8</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                                 <array cmlx:idx="8" dataType="xsd:double" dictRef="x:floatArr" size="5">0.28412 -0.11575 -0.04456 -0.00922 0.00806</array>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">9</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
                                 <array cmlx:idx="9" dataType="xsd:double" dictRef="x:floatArr" size="5">0.03219 -0.03339 -0.00658 0.00093 -0.00456</array>
                              </list>
                           </list>
                        </module>
                        <module cmlx:templateRef="coeff">
                           <list cmlx:templateRef="row">
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">1   O  1S</scalar>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">2</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                              </list>
                              <list>
                                 <scalar dataType="xsd:integer" dictRef="cc:serial">3</scalar>
                                 <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                              </list>
                           </list>
                        </module>
                     </module>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.grossorbpop">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="9">1 2 3 4 5 6 7 8 9</array>
                     <array dataType="xsd:string" delimiter="|" dictRef="x:label" size="9">1   O  1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ</array>
                     <matrix cols="1" dataType="xsd:double" dictRef="g:totaloccup" rows="9">1.99223 0.88346 0.99454 1.10497 0.82508 1.03843 0.56427 0.67617 0.41195</matrix>
                  </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="126">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 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="126">O O O O O O O O N H N H N H C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="126">-0.497655 -0.525184 -0.528342 -0.544858 -0.545794 -0.465821 -0.460429 -0.518198 -0.457590 0.333089 -0.450494 0.346941 -0.456843 0.314952 -0.097070 0.181396 -0.111323 -0.241666 -0.181231 0.374964 -0.001343 0.161575 0.170108 0.136934 -0.082534 0.141976 -0.168130 -0.357240 -0.084517 -0.085256 -0.266731 -0.225992 -0.225285 -0.220007 -0.352562 -0.342659 0.404993 -0.217208 -0.230269 -0.140928 0.643379 0.145182 -0.086566 -0.119350 -0.085099 -0.086577 -0.224772 -0.227728 -0.210836 -0.217968 -0.148663 0.093990 -0.105908 -0.341076 -0.387290 0.144065 0.087915 0.102694 0.119698 0.129295 0.109128 0.124561 0.095566 0.191449 0.120751 0.111445 0.115760 0.128557 0.194500 0.162207 0.156459 0.110705 0.115196 0.154046 0.159379 0.169764 0.167913 0.155888 0.132613 0.177560 0.168625 0.139159 0.165032 0.152815 0.126460 0.174482 0.129663 0.117280 0.135672 0.140815 0.089695 0.149753 0.340153 0.313212 0.343630 0.191937 0.187999 0.165947 0.198544 0.171838 0.196123 0.166899 0.124396 0.168907 0.177875 0.125487 0.177751 0.157031 0.181609 0.166731 0.170205 0.130777 0.169798 0.152985 0.139993 0.097851 0.108713 0.170794 0.110803 0.136756 0.100713 0.151036 0.148965 0.131972 0.103345 0.168169</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">3.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.kinetic">
                     <module>
                        <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                        <array dataType="xsd:integer" dictRef="x:serial" size="10">197 198 199 200 201 202 203 204 205 206</array>
                        <array dataType="xsd:string" dictRef="x:label" size="10">O O O O O V V V V V</array>
                        <array dataType="xsd:double" dictRef="g:orbitalener" size="10">-0.508157 -0.507537 -0.498222 -0.489982 -0.476933 -0.302170 -0.250114 -0.224172 -0.221303 -0.219153</array>
                        <array dataType="xsd:double" dictRef="g:kineticener" size="10">2.118722 2.318903 1.696493 1.898714 2.206088 1.604740 1.477037 1.138100 1.933535 1.547227</array>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:totalkineticener">2.350021033418D+03</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-3.1835 -5.6156 -9.5009</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">11.4863</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">51.1730 -165.0036 -220.1230</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-16.0496 -2.4387 -31.3703</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">162.4909 -53.6857 -108.8052 -16.0496 -2.4387 -31.3703</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">242.8314 175.9490 -138.3738 -150.3130 -597.4491 -176.2116 -29.6820 88.4467 -195.4233 64.8761</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-13543.1316 -8644.8779 -6263.9882 -191.3308 -375.0551 -215.8716 -755.3300 -0.0555 -505.7108 -4146.7024 -5069.7988 -2348.7742 533.0883 175.6522 -194.2194</array>
                  </list>
               </property>
               <property dictRef="cc:virtualorbs">
                  <array dataType="xsd:string" delimiter="|" size="949">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </property>
               <property dictRef="cc:occupiedorbs">
                  <array dataType="xsd:string" delimiter="|" size="201">(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)</array>
               </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-GALILEO</scalar>
                           <formula concise="C 41.0 H 74.0 N 3.0 O 8.0" formalCharge="0">
                              <atomArray count="41.0 74.0 3.0 8.0" elementType="C H N O"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">SGERVASONI</scalar>
                           <scalar dataType="xsd:date">2025-12-04T00:00:00.000</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">partial charges</scalar>
                        <list dictRef="cc:molecule">
                           <list type="chargemult">
                              <scalar dataType="xsd:string" dictRef="x:formalCharge">3</scalar>
                              <scalar dataType="xsd:string" dictRef="x:spinMultiplicity">1</scalar>
                           </list>
                        </list>
                        <list dictRef="g:archive.namevalue">
                           <scalar dataType="xsd:string">Version=ES64L-G16RevA.03</scalar>
                           <scalar dataType="xsd:string">State=1-A</scalar>
                           <scalar dataType="xsd:string">HF=-2372.1740102</scalar>
                           <scalar dataType="xsd:string">RMSD=4.550e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=1.1264535,1.1563172,-4.220912</scalar>
                           <scalar dataType="xsd:string">Quadrupole=29.6612335,40.6955889,-70.3568224,-69.0764478,-26.892228,53.081592</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C41H74N3O8)]</scalar>
                        </list>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="O" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.667</scalar>
                           <scalar dataType="xsd:string">-2.354</scalar>
                           <scalar dataType="xsd:string">0.249</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="O" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.128</scalar>
                           <scalar dataType="xsd:string">-2.399</scalar>
                           <scalar dataType="xsd:string">-2.043</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="O" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.211</scalar>
                           <scalar dataType="xsd:string">-4.549</scalar>
                           <scalar dataType="xsd:string">-0.186</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="O" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.704</scalar>
                           <scalar dataType="xsd:string">-1.357</scalar>
                           <scalar dataType="xsd:string">4.231</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="O" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-2.08</scalar>
                           <scalar dataType="xsd:string">-0.851</scalar>
                           <scalar dataType="xsd:string">-3.027</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="O" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
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