<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:o="http://www.iochem-bd.org/dictionary/orca/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="orca.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.4</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
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                     <array dataType="xsd:string" dictRef="o:primitive" size="6">17s11p7d1f 11s6p2d1f 11s6p2d1f 5s1p 17s13p8d1f 11s6p2d1f</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="6">6s4p4d1f 5s3p2d1f 5s3p2d1f 3s1p 6s5p4d1f 5s3p2d1f</array>
                  </list>
                  <list dictRef="atombasis">
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                     <array dataType="xsd:string" dictRef="cc:elementType" size="319">Cu C N N C C C C C C C C C C N H H H H H H H C C C H H C N C H H H C H C H H H C C H C C H C C H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="319">1 2 3 3 2 2 2 2 2 2 2 2 2 2 3 4 4 4 4 4 4 4 2 2 2 4 4 2 3 2 4 4 4 2 4 2 4 4 4 2 2 4 2 2 4 2 2 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 2 2 2 2 2 2 2 2 2 2 4 4 4 4 4 4 4 4 4 4 4 4 4 4</array>
                  </list>
               </module>
            </parameterList>
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                  <bond atomRefs2="a297 a298" order="S"/>
                  <bond atomRefs2="a298 a307" order="S"/>
                  <bond atomRefs2="a298 a306" order="S"/>
                  <bond atomRefs2="a298 a299" order="S"/>
                  <bond atomRefs2="a299 a308" order="S"/>
                  <bond atomRefs2="a299 a302" order="S"/>
                  <bond atomRefs2="a299 a300" order="S"/>
                  <bond atomRefs2="a300 a309" order="S"/>
                  <bond atomRefs2="a300 a301" order="S"/>
                  <bond atomRefs2="a300 a310" order="S"/>
                  <bond atomRefs2="a301 a311" order="S"/>
                  <bond atomRefs2="a301 a312" order="S"/>
                  <bond atomRefs2="a302 a304" order="S"/>
                  <bond atomRefs2="a302 a303" order="S"/>
                  <bond atomRefs2="a303 a314" order="S"/>
                  <bond atomRefs2="a303 a313" order="S"/>
                  <bond atomRefs2="a304 a316" order="S"/>
                  <bond atomRefs2="a304 a315" order="S"/>
                  <bond atomRefs2="a304 a317" order="S"/>
                  <bond atomRefs2="a305 a319" order="S"/>
                  <bond atomRefs2="a305 a318" order="S"/>
               </bondArray>
               <formula concise="C124H160Br20CuN4O10">
                  <atomArray count="124 160 20 1 4 10" elementType="C H Br Cu N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3366.973599999993</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C15H11N3.10C10H14Br2O.C8H9.CN.Cu/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;10*1-9(5-11)7-2-3-10(9,6-12)8(13)4-7;1-2-8-6-4-3-5-7-8;1-2;/h1-11H;10*7H,2-6H2,1H3;2-7H,1H3;;/q-3;;;;;;;;;;;;;+3/rC16H11CuN4.10C10H14Br2O.C8H9/c18-12-17-19-10-3-1-6-13(19)15-8-5-9-16(21(15)17)14-7-2-4-11-20(14)17;10*1-9(5-11)7-2-3-10(9,6-12)8(13)4-7;1-2-8-6-4-3-5-7-8/h1-11H;10*7H,2-6H2,1H3;2-7H,1H3">
                  <scalar dataType="xsd:integer" 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               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.167000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.833000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.300000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">9773</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Cu-i_FADDAP-solv_SP</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1740</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6243</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">96539.0364130298 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-12 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-14 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-06 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.924e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">4.618 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">4.529 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">9.271 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <scalar dataType="xsd:integer" dictRef="o:charge">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="4">wB97X-D4 def2-TZVP def2-TZVP/C VeryTightSCF</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">pal</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">nproc 68 end</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">%maxcore 8000</scalar>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList/>
            <molecule id="finalization.0">
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               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-58918.72772113</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">96539.03641303</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-155457.76413416</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-274583.89318198</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">119126.12904783</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-117740.01014744</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">58821.28242631</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00165663</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">870.000434905246</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">870.000434905246</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">1740.000869810492</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-1977.513340173242</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-89.308149053065</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-2066.821489226307</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
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14.5021 14.5067 14.5281 14.5339 14.5571 14.5662 14.5751 14.6121 14.6148 14.6444 14.6694 14.6746 14.6966 14.7308 14.7509 14.7553 14.7799 14.7889 14.7980 14.8178 14.8379 14.8488 14.8582 14.8744 14.8764 14.9003 14.9166 14.9442 14.9552 14.9674 14.9939 15.0156 15.0239 15.0492 15.0683 15.0851 15.0892 15.1218 15.1366 15.1567 15.1628 15.1758 15.1965 15.2238 15.2346 15.2411 15.2684 15.2846 15.2998 15.3128 15.3459 15.3606 15.3718 15.3782 15.4114 15.4350 15.4510 15.4688 15.4823 15.4899 15.5024 15.5233 15.5464 15.5715 15.5780 15.6005 15.6137 15.6615 15.6764 15.6990 15.7068 15.7267 15.7545 15.7636 15.7954 15.8190 15.8544 15.8697 15.8868 15.9020 15.9311 15.9383 15.9512 15.9644 15.9848 16.0246 16.0580 16.0715 16.0945 16.1147 16.1252 16.1324 16.1732 16.1921 16.1976 16.2322 16.2518 16.2636 16.2826 16.2995 16.3207 16.3476 16.3555 16.3722 16.3911 16.4007 16.4335 16.4540 16.4904 16.5126 16.5407 16.5529 16.5603 16.5919 16.6046 16.6145 16.6716 16.6802 16.6998 16.7056 16.7166 16.7450 16.7834 16.8003 16.8093 16.8253 16.8365 16.8586 16.9150 16.9413 16.9589 16.9814 16.9959 17.0053 17.0167 17.0579 17.0761 17.0930 17.1209 17.1467 17.1568 17.1849 17.2432 17.2534 17.2613 17.2735 17.3084 17.3336 17.3395 17.3550 17.3810 17.3927 17.4224 17.4260 17.4494 17.4707 17.4993 17.5363 17.5649 17.5806 17.6138 17.6229 17.6700 17.6952 17.7133 17.7491 17.7679 17.7816 17.7952 17.8191 17.8441 17.8641 17.8853 17.9076 17.9338 17.9444 17.9549 17.9931 18.0154 18.0449 18.0598 18.0909 18.1154 18.1396 18.1611 18.1701 18.1954 18.2150 18.2477 18.2634 18.2780 18.3336 18.3682 18.3786 18.3826 18.4111 18.4227 18.4523 18.4736 18.5246 18.5565 18.5881 18.6114 18.6283 18.6476 18.6721 18.6961 18.6989 18.7283 18.7465 18.7797 18.8129 18.8155 18.8411 18.8830 18.9095 18.9303 18.9519 18.9620 18.9875 19.0080 19.0364 19.0666 19.0727 19.0893 19.1208 19.1561 19.1898 19.2060 19.2595 19.2734 19.2926 19.3042 19.3236 19.3371 19.3638 19.3997 19.4228 19.4553 19.4845 19.4951 19.5353 19.5603 19.5796 19.5905 19.5985 19.6337 19.6385 19.6739 19.7034 19.7132 19.7416 19.7579 19.7759 19.7990 19.8238 19.8443 19.8655 19.8918 19.9095 19.9319 19.9476 19.9734 19.9969 20.0372 20.0453 20.0762 20.1100 20.1185 20.1296 20.1733 20.2023 20.2168 20.2545 20.2700 20.2880 20.3022 20.3195 20.3374 20.3482 20.3863 20.4305 20.4423 20.4584 20.4858 20.5145 20.5242 20.5522 20.5966 20.6035 20.6117 20.6420 20.6608 20.7050 20.7439 20.7542 20.7942 20.8167 20.8439 20.8509 20.8866 20.8921 20.9375 20.9600 20.9888 21.0166 21.0208 21.0843 21.1214 21.1267 21.1610 21.1680 21.1965 21.2262 21.2317 21.2538 21.2755 21.2955 21.3174 21.3480 21.3749 21.4016 21.4275 21.4503 21.4777 21.4962 21.5013 21.5178 21.5594 21.5928 21.6145 21.6387 21.6821 21.6983 21.7081 21.7341 21.7524 21.7672 21.8009 21.8440 21.8573 21.8838 21.9118 21.9168 21.9302 21.9518 21.9622 22.0209 22.0586 22.0680 22.0904 22.1029 22.1287 22.1601 22.2040 22.2295 22.2421 22.2624 22.2932 22.3164 22.3269 22.3585 22.3952 22.4101 22.4406 22.4727 22.4862 22.5191 22.5384 22.5780 22.5859 22.6072 22.6314 22.6596 22.6810 22.7326 22.7745 22.7979 22.8226 22.8398 22.8525 22.8824 22.9188 22.9468 22.9615 22.9764 22.9960 23.0041 23.0625 23.0796 23.1041 23.1253 23.1420 23.1775 23.1873 23.2017 23.2411 23.2630 23.2937 23.3093 23.3224 23.3831 23.3857 23.4095 23.4431 23.4562 23.4692 23.5081 23.5232 23.5899 23.6030 23.6366 23.6710 23.6771 23.6987 23.7309 23.7468 23.7681 23.7795 23.7892 23.8207 23.8367 23.8853 23.9152 23.9459 23.9784 23.9975 24.0150 24.0547 24.0966 24.1252 24.1348 24.1578 24.1801 24.1907 24.2123 24.2265 24.2478 24.2953 24.3329 24.3584 24.3947 24.4114 24.4390 24.4637 24.5038 24.5204 24.5258 24.5626 24.5798 24.6005 24.6621 24.6727 24.6749 24.7065 24.7330 24.7807 24.7953 24.8342 24.8607 24.8840 24.8991 24.9139 24.9582 24.9641 25.0015 25.0155 25.0496 25.0938 25.1223 25.1713 25.2119 25.2428 25.2689 25.3088 25.3166 25.3332 25.3725 25.4170 25.4299 25.4510 25.4675 25.4900 25.5456 25.5700 25.6135 25.6200 25.6470 25.6870 25.7003 25.7173 25.7429 25.7675 25.7972 25.8182 25.8587 25.8828 25.8880 25.9289 25.9365 25.9557 25.9831 26.0272 26.0431 26.1009 26.1173 26.1444 26.1544 26.1964 26.2249 26.2334 26.2694 26.2818 26.3139 26.3326 26.3683 26.4012 26.4172 26.4614 26.4631 26.5096 26.5262 26.5573 26.5967 26.6272 26.6898 26.7017 26.7130 26.7694 26.7780 26.8488 26.8579 26.8735 26.9036 26.9178 26.9556 26.9598 27.0076 27.0291 27.0395 27.0948 27.1047 27.1538 27.1916 27.2066 27.2401 27.3020 27.3309 27.3449 27.3803 27.3873 27.4315 27.4661 27.4743 27.5270 27.5468 27.5819 27.6173 27.6394 27.6761 27.6879 27.7126 27.7370 27.7586 27.7752 27.7986 27.8275 27.8859 27.8961 27.9204 27.9223 27.9914 28.0005 28.0125 28.0399 28.1004 28.1231 28.1316 28.1621 28.1783 28.2160 28.2243 28.2393 28.2993 28.3010 28.3437 28.3830 28.3952 28.4498 28.4561 28.4903 28.5093 28.5179 28.5616 28.6130 28.6292 28.6720 28.6738 28.7124 28.7162 28.7540 28.7772 28.7946 28.8244 28.8262 28.8513 28.8646 28.9058 28.9227 28.9468 28.9901 29.0002 29.0249 29.0525 29.0718 29.0977 29.1194 29.1288 29.1716 29.1828 29.1968 29.2544 29.2670 29.2965 29.3291 29.3493 29.3613 29.3829 29.4113 29.4162 29.4554 29.4731 29.5254 29.5428 29.5637 29.5917 29.6323 29.6812 29.7014 29.7097 29.7290 29.7908 29.8047 29.8298 29.8339 29.8551 29.8812 29.9004 29.9388 29.9601 29.9995 30.0414 30.0498 30.0902 30.1016 30.1482 30.1606 30.2086 30.2359 30.2521 30.2567 30.2741 30.3077 30.3247 30.3564 30.3670 30.3899 30.4355 30.4957 30.5286 30.5359 30.5589 30.5818 30.6159 30.6201 30.6463 30.6660 30.7045 30.7271 30.7553 30.7932 30.8136 30.8370 30.8647 30.9047 30.9216 30.9556 30.9876 30.9967 31.0505 31.0536 31.0712 31.0842 31.1022 31.1480 31.1526 31.1711 31.2215 31.2327 31.2971 31.2984 31.3135 31.3507 31.3883 31.4031 31.4411 31.4474 31.4646 31.5057 31.5156 31.5491 31.5621 31.5923 31.6274 31.6510 31.6612 31.6922 31.7190 31.7717 31.7948 31.8182 31.8422 31.8720 31.8872 31.9298 31.9417 31.9724 31.9926 32.0260 32.0331 32.0393 32.0908 32.1120 32.1216 32.1307 32.1647 32.2169 32.2283 32.2602 32.2836 32.3316 32.3543 32.3685 32.3917 32.4207 32.4451 32.4718 32.4977 32.5237 32.5308 32.5665 32.5942 32.6320 32.6472 32.6611 32.6885 32.7088 32.7313 32.7728 32.7887 32.8304 32.8448 32.8597 32.8881 32.9049 32.9290 33.0004 33.0341 33.0606 33.0892 33.1021 33.1101 33.1345 33.1562 33.1849 33.2029 33.2352 33.2631 33.2637 33.3044 33.3293 33.3482 33.3714 33.3954 33.4219 33.4599 33.4883 33.4936 33.5295 33.5835 33.5855 33.6335 33.6571 33.6662 33.6748 33.6977 33.7545 33.7769 33.7950 33.8018 33.8454 33.8589 33.8753 33.8815 33.9479 33.9637 34.0003 34.0089 34.0566 34.0797 34.1076 34.1355 34.1779 34.1894 34.2349 34.2585 34.3137 34.3257 34.3497 34.3665 34.3836 34.4366 34.4563 34.4814 34.5307 34.5502 34.5624 34.5854 34.6080 34.6649 34.6866 34.6959 34.7253 34.7788 34.7847 34.8193 34.8403 34.8779 34.8894 34.9353 34.9506 34.9588 35.0456 35.0615 35.0699 35.0884 35.1229 35.1504 35.1801 35.2000 35.2309 35.2664 35.2815 35.3145 35.3231 35.3432 35.3839 35.3946 35.4570 35.4629 35.5180 35.5311 35.5522 35.6017 35.6425 35.6484 35.7122 35.7172 35.7322 35.7659 35.7987 35.8192 35.8397 35.8951 35.9406 35.9493 35.9735 36.0029 36.0330 36.0750 36.1259 36.1546 36.1766 36.2028 36.2392 36.2581 36.2784 36.3300 36.3823 36.4109 36.4309 36.4531 36.4829 36.5082 36.5369 36.5615 36.6186 36.6470 36.6763 36.6898 36.7207 36.7378 36.7719 36.7812 36.8065 36.8422 36.8611 36.8772 36.9168 36.9351 36.9724 37.0001 37.0159 37.0527 37.0603 37.0829 37.0909 37.1155 37.1339 37.1729 37.1978 37.2275 37.2445 37.2848 37.3040 37.3324 37.3506 37.3702 37.4070 37.4139 37.4377 37.4669 37.4793 37.4925 37.5213 37.5718 37.5817 37.6127 37.6238 37.6400 37.6453 37.6768 37.7171 37.7494 37.7724 37.7891 37.8125 37.8287 37.8675 37.8809 37.9029 37.9163 37.9303 37.9973 38.0060 38.0342 38.0474 38.0686 38.1140 38.1302 38.1479 38.1569 38.1850 38.2318 38.2435 38.2554 38.2902 38.3100 38.3217 38.3374 38.3738 38.3957 38.4057 38.4658 38.4699 38.5024 38.5281 38.5469 38.5723 38.5829 38.6301 38.6358 38.6668 38.6793 38.7052 38.7385 38.7632 38.7718 38.8049 38.8129 38.8691 38.8807 38.8956 38.9075 38.9394 38.9677 38.9878 39.0358 39.0687 39.0925 39.1020 39.1332 39.1737 39.1835 39.2157 39.2239 39.2402 39.3042 39.3191 39.3319 39.3392 39.3554 39.3657 39.4343 39.4560 39.4646 39.5116 39.5234 39.5516 39.5737 39.6048 39.6166 39.6543 39.6748 39.7113 39.7249 39.7540 39.7585 39.7764 39.8426 39.8529 39.8664 39.8836 39.8913 39.9267 39.9537 39.9867 40.0090 40.0442 40.0606 40.0767 40.0924 40.1042 40.1253 40.1394 40.1588 40.1817 40.1936 40.2237 40.2467 40.2549 40.2784 40.3020 40.3328 40.3535 40.3783 40.3981 40.4497 40.4654 40.5051 40.5222 40.5454 40.5528 40.5719 40.6062 40.6383 40.6679 40.6794 40.7186 40.7557 40.7642 40.7917 40.8146 40.8305 40.8495 40.8575 40.8876 40.9015 40.9340 40.9623 41.0112 41.0308 41.0476 41.0565 41.1047 41.1464 41.1576 41.1853 41.1941 41.2347 41.2419 41.2646 41.2699 41.2942 41.3295 41.3509 41.3641 41.3928 41.4099 41.4556 41.4719 41.5035 41.5169 41.5305 41.5717 41.6020 41.6288 41.6466 41.6657 41.6920 41.7196 41.7347 41.7662 41.8133 41.8185 41.8679 41.8740 41.8848 41.9140 41.9551 41.9602 41.9858 42.0122 42.0351 42.0437 42.0764 42.0865 42.1172 42.1445 42.1703 42.1923 42.2365 42.2634 42.2786 42.2963 42.3170 42.3366 42.3706 42.4093 42.4196 42.4471 42.4550 42.4843 42.4925 42.5180 42.5522 42.5864 42.6026 42.6231 42.6270 42.6685 42.6927 42.7339 42.7548 42.7756 42.8079 42.8186 42.8458 42.8771 42.8790 42.9054 42.9239 42.9599 42.9730 43.0048 43.0211 43.0459 43.0600 43.0861 43.1220 43.1345 43.1496 43.1799 43.1941 43.2060 43.2169 43.2214 43.2670 43.2917 43.3057 43.3282 43.3566 43.3675 43.3911 43.4035 43.4280 43.4584 43.4660 43.4970 43.5122 43.5290 43.5532 43.5709 43.5822 43.5942 43.6061 43.6238 43.6495 43.6743 43.6913 43.7119 43.7172 43.7269 43.7684 43.7759 43.8224 43.8475 43.8596 43.8684 43.8834 43.8966 43.9095 43.9334 43.9891 43.9986 44.0075 44.0196 44.0368 44.0551 44.0628 44.1118 44.1470 44.1541 44.1666 44.1741 44.1948 44.2129 44.2269 44.2702 44.2773 44.2918 44.3275 44.3406 44.3588 44.3803 44.4123 44.4242 44.4527 44.4811 44.4940 44.5199 44.5315 44.5545 44.5604 44.5806 44.6130 44.6304 44.6350 44.6580 44.7067 44.7095 44.7229 44.7522 44.7576 44.7698 44.7924 44.8147 44.8315 44.8475 44.8562 44.8773 44.8829 44.8932 44.9375 44.9778 45.0077 45.0178 45.0325 45.0466 45.0580 45.0758 45.0827 45.1086 45.1297 45.1598 45.2010 45.2137 45.2199 45.2365 45.2654 45.2747 45.3104 45.3331 45.3371 45.3661 45.3812 45.4196 45.4435 45.4698 45.4805 45.4911 45.5066 45.5230 45.5533 45.5614 45.5964 45.6175 45.6281 45.6445 45.6484 45.6679 45.6983 45.7019 45.7215 45.7690 45.7989 45.8015 45.8369 45.8649 45.8754 45.9126 45.9262 45.9318 45.9676 45.9812 46.0061 46.0346 46.0500 46.0714 46.1004 46.1186 46.1296 46.1546 46.1731 46.1957 46.2013 46.2200 46.2424 46.2862 46.2939 46.3198 46.3339 46.3444 46.3764 46.3913 46.4110 46.4464 46.4544 46.4633 46.4970 46.5220 46.5366 46.5519 46.5901 46.6234 46.6345 46.6617 46.6649 46.6863 46.7117 46.7351 46.7504 46.7670 46.7816 46.8029 46.8124 46.8438 46.8680 46.8902 46.9048 46.9395 46.9555 46.9720 46.9933 47.0027 47.0155 47.0311 47.0699 47.0787 47.0888 47.1051 47.1137 47.1296 47.1776 47.1803 47.1913 47.2288 47.2484 47.2576 47.2795 47.2866 47.3191 47.3358 47.3701 47.3785 47.3911 47.4073 47.4140 47.4473 47.4761 47.5034 47.5189 47.5299 47.5521 47.5717 47.5778 47.6142 47.6506 47.6600 47.6773 47.7024 47.7221 47.7711 47.7938 47.8010 47.8238 47.8291 47.8360 47.8700 47.8835 47.8874 47.9257 47.9308 47.9527 47.9811 48.0096 48.0318 48.0481 48.0630 48.0814 48.0951 48.1019 48.1294 48.1374 48.1550 48.1896 48.2059 48.2246 48.2632 48.2946 48.3119 48.3267 48.3552 48.3600 48.3801 48.3898 48.4142 48.4284 48.4597 48.4886 48.5194 48.5297 48.5635 48.5748 48.6210 48.6318 48.6488 48.6563 48.7102 48.7213 48.7465 48.7848 48.7981 48.8260 48.8461 48.8717 48.8794 48.9104 48.9166 48.9607 48.9931 49.0080 49.0403 49.0539 49.0667 49.0777 49.0903 49.1139 49.1514 49.1713 49.1890 49.1938 49.2263 49.2394 49.2763 49.2973 49.3068 49.3282 49.3767 49.3968 49.4071 49.4200 49.4613 49.4765 49.4962 49.5335 49.5452 49.5642 49.5911 49.6174 49.6223 49.6604 49.7086 49.7283 49.7399 49.7479 49.7780 49.8074 49.8132 49.8600 49.8765 49.8951 49.9242 49.9563 49.9835 50.0040 50.0195 50.0433 50.0613 50.1030 50.1124 50.1268 50.1388 50.1762 50.1885 50.2201 50.2386 50.2487 50.2939 50.3223 50.3408 50.3788 50.4222 50.4322 50.4860 50.5043 50.5219 50.5511 50.5762 50.6115 50.6233 50.6495 50.6845 50.7166 50.7412 50.7837 50.7989 50.8255 50.8354 50.8541 50.9008 50.9213 50.9471 50.9902 51.0182 51.0306 51.0425 51.0652 51.1308 51.1485 51.1775 51.1910 51.2118 51.2291 51.2464 51.3005 51.3619 51.3729 51.3796 51.4086 51.4476 51.4659 51.4995 51.5239 51.5395 51.5664 51.5885 51.6230 51.6502 51.6655 51.6851 51.7108 51.7347 51.8035 51.8149 51.8474 51.8569 51.9015 51.9142 51.9514 51.9724 52.0068 52.0336 52.0494 52.0706 52.1020 52.1185 52.1398 52.1719 52.2186 52.2261 52.2452 52.2687 52.2817 52.3363 52.3472 52.3940 52.4106 52.4365 52.4905 52.5311 52.5573 52.5708 52.5878 52.6444 52.6576 52.7013 52.7341 52.7526 52.7801 52.8300 52.8519 52.8833 52.8960 52.9318 52.9825 53.0226 53.0299 53.0546 53.0676 53.0775 53.1247 53.1274 53.1698 53.1872 53.2317 53.2415 53.2638 53.2784 53.3059 53.3148 53.3502 53.3766 53.4148 53.4418 53.4613 53.4893 53.5167 53.5435 53.5846 53.6031 53.6335 53.6513 53.6620 53.6760 53.7087 53.7214 53.7624 53.8128 53.8303 53.8763 53.8964 53.9229 53.9398 53.9630 53.9798 54.0117 54.0316 54.0414 54.0505 54.1149 54.1238 54.1456 54.1700 54.1972 54.2263 54.2468 54.3004 54.3065 54.3338 54.3531 54.3963 54.4157 54.4629 54.4762 54.4911 54.5267 54.5336 54.5555 54.5729 54.6037 54.6324 54.6492 54.6604 54.7156 54.7529 54.7839 54.8010 54.8178 54.8407 54.8739 54.9037 54.9235 54.9294 54.9676 54.9917 55.0146 55.0404 55.0591 55.0768 55.0967 55.1160 55.1541 55.2199 55.2261 55.2697 55.2810 55.3128 55.3335 55.3484 55.3761 55.3875 55.4208 55.4618 55.5043 55.5373 55.5670 55.5774 55.5926 55.6243 55.6575 55.7087 55.7143 55.7433 55.7523 55.7808 55.8003 55.8606 55.8940 55.9282 55.9430 55.9833 56.0224 56.0504 56.0773 56.0899 56.1310 56.1496 56.1895 56.2223 56.2408 56.3206 56.3669 56.3850 56.3880 56.4199 56.4633 56.4654 56.4920 56.5292 56.5656 56.6422 56.6471 56.6745 56.6865 56.7325 56.7372 56.7608 56.7836 56.8514 56.8596 56.9139 56.9270 56.9435 57.0089 57.0344 57.0736 57.0771 57.1051 57.1201 57.1240 57.1800 57.1904 57.2277 57.2523 57.2744 57.3201 57.3606 57.3828 57.4111 57.4218 57.4390 57.4710 57.4934 57.5305 57.5727 57.6084 57.6309 57.6771 57.7300 57.7670 57.7809 57.8207 57.8528 57.8594 57.8975 57.9448 57.9721 57.9791 58.0264 58.0586 58.0728 58.0970 58.1084 58.1927 58.2012 58.2334 58.2673 58.2779 58.3177 58.3599 58.3817 58.4108 58.4455 58.5088 58.5278 58.5638 58.6145 58.6440 58.6771 58.6944 58.7180 58.7610 58.7962 58.8292 58.8427 58.8670 58.9086 58.9270 58.9779 59.0024 59.0628 59.0851 59.1297 59.1427 59.1906 59.2069 59.2501 59.2584 59.2798 59.2934 59.3208 59.3469 59.3911 59.4163 59.4644 59.4848 59.5064 59.5854 59.5926 59.6427 59.6518 59.7067 59.7275 59.7605 59.8028 59.8268 59.8982 59.9034 59.9620 59.9714 60.0319 60.0636 60.0819 60.0926 60.1322 60.1664 60.1705 60.2459 60.3112 60.3400 60.3456 60.3885 60.4228 60.4455 60.4728 60.5141 60.5792 60.5860 60.6153 60.6384 60.6967 60.7027 60.7510 60.8076 60.8306 60.8607 60.8745 60.9159 60.9490 60.9609 60.9820 61.0419 61.0553 61.1080 61.1231 61.1482 61.1656 61.2494 61.2756 61.3055 61.3697 61.4012 61.4108 61.4420 61.4904 61.5318 61.6018 61.6098 61.6318 61.7035 61.7300 61.7524 61.7834 61.8436 61.8646 61.8888 61.9132 61.9604 61.9714 62.0061 62.0637 62.0898 62.1089 62.1247 62.1725 62.1921 62.2515 62.2749 62.3102 62.3426 62.3729 62.4084 62.4199 62.4656 62.5215 62.5812 62.6092 62.6222 62.6577 62.7309 62.7669 62.7786 62.7860 62.8022 62.8646 62.8865 62.9356 62.9861 63.0004 63.0117 63.0261 63.0814 63.1265 63.1414 63.1689 63.1990 63.2508 63.2629 63.3048 63.3213 63.3501 63.3742 63.4446 63.4612 63.4870 63.5319 63.5873 63.6007 63.6099 63.6421 63.6657 63.6920 63.7365 63.7928 63.7991 63.8330 63.8512 63.8901 63.8999 63.9453 63.9663 63.9851 64.0283 64.0447 64.0888 64.1150 64.1387 64.1708 64.2095 64.2280 64.2657 64.2931 64.3252 64.3522 64.3802 64.4028 64.4210 64.4482 64.4699 64.5290 64.5445 64.5600 64.6298 64.6448 64.6544 64.7014 64.7395 64.7429 64.7737 64.8586 64.8714 64.8955 64.9301 64.9598 64.9651 64.9941 65.0262 65.0592 65.0656 65.1005 65.1332 65.1528 65.1782 65.1969 65.2454 65.2912 65.2928 65.3328 65.4044 65.4191 65.4418 65.4732 65.5160 65.5413 65.5637 65.5843 65.6450 65.6518 65.6620 65.6797 65.6983 65.7497 65.7618 65.7956 65.8200 65.8531 65.8616 65.8787 65.9037 65.9370 65.9855 65.9935 66.0163 66.0757 66.0920 66.1199 66.1671 66.2026 66.2155 66.2997 66.3224 66.3650 66.3797 66.4205 66.4475 66.4676 66.4760 66.5146 66.5294 66.5697 66.6012 66.6237 66.6827 66.7072 66.7247 66.7528 66.7727 66.8301 66.8499 66.8712 66.8823 66.9616 66.9875 67.0049 67.0197 67.0940 67.1027 67.1094 67.1603 67.1661 67.1883 67.2151 67.2589 67.3012 67.3253 67.3567 67.3836 67.4000 67.4424 67.4833 67.5110 67.5383 67.5551 67.6098 67.6200 67.6548 67.6743 67.6877 67.7193 67.7366 67.7815 67.7919 67.8070 67.8500 67.8721 67.9042 67.9428 67.9672 67.9950 68.0140 68.0361 68.0738 68.0816 68.1113 68.1134 68.1396 68.1663 68.2027 68.2124 68.2303 68.2635 68.2932 68.3135 68.3403 68.3724 68.3849 68.3965 68.4442 68.4745 68.4976 68.5192 68.5382 68.5463 68.6125 68.6724 68.6842 68.7217 68.7304 68.7456 68.7849 68.8005 68.8154 68.8428 68.8679 68.8874 68.8998 68.9458 68.9758 69.0037 69.0415 69.0595 69.1000 69.1327 69.1635 69.1797 69.2083 69.2516 69.2719 69.3270 69.3399 69.3683 69.3777 69.3983 69.4399 69.4496 69.4775 69.5023 69.5246 69.5493 69.5815 69.6231 69.6585 69.7162 69.7219 69.7581 69.7713 69.8014 69.8142 69.8356 69.8694 69.9152 69.9347 69.9651 70.0106 70.0275 70.0698 70.0902 70.1461 70.1676 70.1916 70.2374 70.2492 70.2796 70.3301 70.3417 70.3690 70.3993 70.4249 70.4550 70.4964 70.5196 70.5939 70.6231 70.6650 70.6941 70.7283 70.7587 70.7661 70.8018 70.8434 70.8578 70.8830 70.9318 70.9462 70.9655 70.9937 71.0337 71.0630 71.0722 71.1219 71.1753 71.1979 71.2043 71.2264 71.2868 71.3058 71.3532 71.3805 71.4100 71.4209 71.4378 71.4800 71.5167 71.5324 71.5652 71.5768 71.6066 71.6196 71.6411 71.7225 71.7606 71.7642 71.8072 71.8292 71.8717 71.9003 71.9299 71.9345 71.9880 71.9929 72.0292 72.0594 72.0719 72.0844 72.1325 72.1379 72.1531 72.1971 72.2336 72.2549 72.2682 72.3061 72.3204 72.3718 72.3960 72.4418 72.4806 72.4883 72.4996 72.5300 72.5595 72.5934 72.6237 72.6775 72.7002 72.7145 72.7404 72.7466 72.7807 72.8240 72.8520 72.8591 72.8905 72.9042 72.9396 72.9506 72.9706 72.9968 73.0337 73.0395 73.0604 73.0983 73.1085 73.1396 73.1539 73.1836 73.2314 73.2419 73.2566 73.2833 73.3000 73.3195 73.3354 73.3781 73.4243 73.4419 73.4677 73.4695 73.4949 73.5107 73.5333 73.5774 73.6033 73.6157 73.6324 73.6689 73.6741 73.7009 73.7402 73.7684 73.8191 73.8439 73.8572 73.9031 73.9511 73.9607 74.0074 74.0315 74.0617 74.0721 74.1126 74.1318 74.1601 74.2026 74.2579 74.2704 74.2933 74.3068 74.3566 74.3745 74.4112 74.4238 74.4301 74.4490 74.4683 74.5502 74.5635 74.5815 74.5956 74.6252 74.6400 74.6777 74.7080 74.7318 74.7532 74.7799 74.8310 74.8329 74.8596 74.8842 74.9134 74.9377 74.9778 74.9928 75.0296 75.0436 75.0611 75.0966 75.1217 75.1265 75.1729 75.1890 75.1919 75.2239 75.2392 75.2672 75.2932 75.3068 75.3409 75.3536 75.3940 75.4028 75.4362 75.4679 75.4947 75.5406 75.5535 75.5691 75.6268 75.6328 75.6679 75.6802 75.7181 75.7414 75.7632 75.7945 75.8187 75.8268 75.8631 75.8799 75.9267 75.9858 75.9891 76.0246 76.0779 76.1177 76.1355 76.1431 76.1888 76.2060 76.2321 76.2659 76.2816 76.3104 76.3375 76.3632 76.3851 76.4162 76.4391 76.4630 76.5297 76.5365 76.5682 76.5755 76.6218 76.6527 76.6602 76.6919 76.7208 76.7546 76.7722 76.7780 76.7984 76.8313 76.8555 76.8747 76.8952 76.9247 76.9560 76.9734 77.0351 77.0544 77.0880 77.1037 77.1446 77.1623 77.1936 77.2474 77.2582 77.3016 77.3103 77.3445 77.3795 77.4074 77.4406 77.4519 77.4645 77.4897 77.5221 77.5401 77.5676 77.6170 77.6357 77.6507 77.6674 77.6883 77.7189 77.7333 77.7466 77.7866 77.8125 77.8619 77.8775 77.9112 77.9570 77.9935 78.0063 78.0272 78.0426 78.0911 78.1057 78.1444 78.1623 78.2103 78.2311 78.2404 78.2694 78.3094 78.3311 78.3665 78.3781 78.3908 78.4154 78.4736 78.5029 78.5270 78.5314 78.5623 78.5763 78.6262 78.6596 78.7039 78.7199 78.7463 78.7626 78.7773 78.8123 78.8284 78.8582 78.9039 78.9261 78.9487 78.9905 79.0120 79.0387 79.0520 79.0755 79.1242 79.1464 79.1526 79.2088 79.2337 79.2993 79.3218 79.3503 79.3854 79.4019 79.4231 79.4393 79.4661 79.4799 79.5274 79.5369 79.5615 79.5723 79.6153 79.6349 79.6560 79.6862 79.7608 79.8060 79.8392 79.8454 79.9004 79.9147 79.9430 79.9867 79.9963 80.0194 80.0296 80.0882 80.1187 80.1500 80.1579 80.1951 80.2204 80.2694 80.3111 80.3199 80.3681 80.3973 80.4218 80.4384 80.4642 80.4969 80.5320 80.5531 80.5746 80.6380 80.6537 80.6580 80.6815 80.7240 80.7805 80.8058 80.8297 80.8349 80.8834 80.9402 80.9479 80.9826 81.0169 81.0342 81.0435 81.0832 81.1094 81.1316 81.1566 81.1881 81.2419 81.2798 81.2826 81.3107 81.3363 81.3455 81.3633 81.4098 81.4240 81.4520 81.4695 81.5232 81.5550 81.5662 81.5983 81.6073 81.6262 81.7169 81.7310 81.7375 81.7694 81.7956 81.8097 81.8433 81.8720 81.9109 81.9513 81.9739 81.9986 82.0249 82.0376 82.0869 82.1104 82.1285 82.1652 82.1997 82.2296 82.2541 82.2752 82.2957 82.3295 82.3568 82.3740 82.4520 82.4740 82.4926 82.5143 82.5553 82.5830 82.6084 82.6377 82.6735 82.7144 82.7243 82.7577 82.7923 82.8418 82.8554 82.8986 82.9136 82.9605 83.0074 83.0339 83.1046 83.1523 83.1828 83.2269 83.2598 83.3020 83.3098 83.3138 83.3373 83.3728 83.4101 83.4369 83.4568 83.4713 83.5130 83.5305 83.5497 83.6301 83.6589 83.6803 83.6967 83.7327 83.7486 83.7715 83.8103 83.8447 83.8602 83.8946 83.9282 83.9558 83.9740 83.9941 84.0648 84.1175 84.1239 84.1414 84.1931 84.2053 84.2732 84.2882 84.3341 84.3824 84.4136 84.4410 84.4914 84.5219 84.5669 84.5941 84.6133 84.6368 84.6745 84.7169 84.7290 84.7806 84.8017 84.8441 84.8652 84.8955 84.9494 84.9668 84.9874 85.0513 85.1137 85.1356 85.1618 85.1829 85.2066 85.2385 85.2414 85.3140 85.3735 85.3816 85.3902 85.4236 85.4489 85.4869 85.5351 85.5659 85.5780 85.6063 85.6329 85.6520 85.7068 85.7516 85.7603 85.8125 85.8269 85.8777 85.8935 85.9002 85.9609 86.0219 86.0295 86.0799 86.0976 86.1166 86.1517 86.1887 86.2221 86.2452 86.2774 86.2847 86.3296 86.3622 86.3836 86.4388 86.4601 86.5091 86.5511 86.5630 86.5950 86.6080 86.6641 86.6996 86.7317 86.7895 86.7946 86.8209 86.8353 86.8857 86.8982 86.9370 86.9553 86.9662 86.9889 87.0334 87.0860 87.1203 87.1499 87.1658 87.1889 87.2173 87.2391 87.2735 87.3137 87.3366 87.3614 87.3902 87.4084 87.4433 87.4652 87.5157 87.5493 87.5638 87.5700 87.6064 87.6298 87.6687 87.7135 87.7488 87.7507 87.7571 87.7762 87.8077 87.8473 87.8696 87.9113 87.9339 87.9477 87.9669 88.0007 88.0195 88.0428 88.0779 88.0829 88.1105 88.1442 88.1959 88.2209 88.2386 88.2451 88.2923 88.3145 88.3411 88.3732 88.3974 88.4227 88.4601 88.5159 88.5392 88.5462 88.5745 88.6090 88.6201 88.6248 88.6464 88.6807 88.7015 88.7403 88.7484 88.7675 88.8006 88.8103 88.8310 88.8557 88.8705 88.8934 88.9181 88.9518 88.9685 88.9784 89.0146 89.0446 89.0825 89.1013 89.1309 89.1479 89.1968 89.2169 89.2526 89.2645 89.2814 89.3021 89.3365 89.3613 89.3897 89.4084 89.4342 89.4783 89.4868 89.5060 89.5315 89.5663 89.5873 89.6034 89.6497 89.6623 89.6797 89.7299 89.7523 89.7693 89.7949 89.8192 89.8292 89.8409 89.8929 89.9264 89.9589 89.9946 90.0076 90.0124 90.0245 90.0261 90.0629 90.0899 90.1132 90.1592 90.1775 90.2083 90.2318 90.2455 90.2953 90.3031 90.3149 90.3248 90.3689 90.3970 90.4482 90.4755 90.5016 90.5396 90.5549 90.5897 90.6238 90.6551 90.6747 90.6881 90.7091 90.7537 90.7633 90.7744 90.7980 90.8070 90.8525 90.8783 90.8797 90.9155 90.9421 90.9768 90.9960 91.0174 91.0213 91.0506 91.0706 91.0958 91.2010 91.2240 91.2275 91.2584 91.2761 91.3343 91.3475 91.3793 91.3970 91.4239 91.4565 91.4595 91.5101 91.5206 91.5287 91.5719 91.5815 91.6275 91.6430 91.6489 91.6694 91.7081 91.7266 91.7393 91.7833 91.7930 91.8102 91.8198 91.8572 91.8850 91.8933 91.9011 91.9474 91.9658 92.0211 92.0365 92.0531 92.0805 92.1180 92.1320 92.1679 92.1731 92.2213 92.2411 92.2937 92.2990 92.3242 92.3685 92.3833 92.4117 92.4204 92.4489 92.4778 92.4946 92.5416 92.5607 92.5806 92.5976 92.6258 92.6314 92.6525 92.6809 92.6957 92.7045 92.7376 92.7596 92.8067 92.8126 92.8169 92.8472 92.9018 92.9107 92.9233 92.9423 92.9880 92.9959 93.0052 93.0334 93.0561 93.0852 93.1157 93.1373 93.1450 93.1784 93.1985 93.2114 93.2224 93.2630 93.3004 93.3058 93.3503 93.3735 93.3914 93.4021 93.4315 93.4887 93.5041 93.5211 93.5421 93.5816 93.6044 93.6289 93.6469 93.6711 93.6786 93.7197 93.7632 93.7750 93.7942 93.8278 93.8528 93.8710 93.9090 93.9434 93.9491 93.9657 93.9847 94.0445 94.0699 94.0764 94.0919 94.1015 94.1246 94.1786 94.2043 94.2210 94.2505 94.2760 94.3151 94.3411 94.3806 94.3988 94.4249 94.4549 94.4915 94.5126 94.5294 94.5838 94.5882 94.6070 94.6263 94.6890 94.7116 94.7392 94.7713 94.8147 94.8277 94.8628 94.8824 94.9090 94.9233 94.9649 95.0108 95.0642 95.0702 95.1168 95.1371 95.1664 95.2068 95.2905 95.3066 95.3338 95.3792 95.3906 95.4062 95.4508 95.4604 95.5053 95.5114 95.5355 95.5727 95.6214 95.6431 95.6635 95.6774 95.7297 95.7636 95.7980 95.8281 95.8404 95.8695 95.9027 95.9310 95.9679 95.9858 95.9987 96.0307 96.0468 96.0745 96.0795 96.0859 96.1545 96.1721 96.2001 96.2449 96.2829 96.3148 96.3339 96.3399 96.3772 96.4033 96.4274 96.4313 96.4708 96.4862 96.5020 96.5153 96.5749 96.6099 96.6257 96.6465 96.6763 96.7050 96.7191 96.7521 96.8004 96.8144 96.8846 96.8859 96.9193 96.9460 96.9772 96.9801 96.9876 97.0111 97.0579 97.0912 97.1064 97.1272 97.1360 97.1639 97.2118 97.2324 97.2403 97.2669 97.2860 97.3551 97.3592 97.3977 97.4546 97.4597 97.4769 97.4970 97.5372 97.5532 97.5654 97.5984 97.6331 97.6651 97.6862 97.7455 97.7623 97.7882 97.8033 97.8369 97.8684 97.8918 97.9159 97.9453 97.9970 98.0197 98.0409 98.0746 98.0918 98.1195 98.1530 98.1732 98.2163 98.2411 98.2564 98.2752 98.2979 98.3404 98.3577 98.3793 98.3895 98.4170 98.4707 98.4829 98.5246 98.5535 98.6422 98.6577 98.6769 98.7146 98.7434 98.7686 98.7734 98.8351 98.8541 98.8578 98.8809 98.9252 98.9668 98.9806 98.9868 99.0442 99.0631 99.0986 99.1471 99.1744 99.1929 99.2305 99.2744 99.3049 99.3280 99.3746 99.3844 99.4039 99.4462 99.4910 99.5298 99.5694 99.5882 99.6176 99.6300 99.6496 99.7146 99.7333 99.7517 99.7812 99.8296 99.8468 99.8875 99.9028 99.9699 99.9831 99.9962 100.0386 100.0713 100.1256 100.1707 100.1836 100.2046 100.2543 100.2611 100.2985 100.3374 100.3939 100.4037 100.4120 100.4675 100.4764 100.5189 100.5413 100.5492 100.5813 100.6033 100.6987 100.7193 100.7525 100.7862 100.8163 100.8470 100.8983 100.9253 100.9475 100.9739 101.0343 101.0587 101.0650 101.1616 101.1707 101.2127 101.2482 101.2877 101.3374 101.3491 101.3974 101.4229 101.4796 101.5616 101.5935 101.6081 101.6376 101.6610 101.7135 101.7194 101.7365 101.7751 101.8083 101.8346 101.8735 101.9213 101.9290 101.9853 102.0341 102.0493 102.1269 102.1421 102.1982 102.2497 102.2690 102.2900 102.3340 102.4386 102.5162 102.5433 102.6057 102.6669 102.6932 102.7129 102.7222 102.7908 102.8203 102.8361 102.8543 102.8768 102.8992 102.9307 102.9881 103.0063 103.0457 103.0529 103.1107 103.1408 103.1590 103.2258 103.2600 103.3497 103.3929 103.4478 103.4769 103.5409 103.5696 103.6116 103.6682 103.6962 103.8232 103.8314 103.8783 103.9396 103.9913 104.0375 104.0420 104.1104 104.1509 104.2053 104.2295 104.2973 104.3394 104.3746 104.4078 104.4184 104.4454 104.5093 104.5234 104.5538 104.6102 104.6760 104.7109 104.7219 104.7529 104.8146 104.8217 104.8509 104.9579 104.9838 105.0061 105.0435 105.1039 105.1338 105.1606 105.1802 105.2242 105.2494 105.2654 105.3058 105.3543 105.4167 105.4618 105.5186 105.5560 105.5726 105.5836 105.6176 105.6419 105.7223 105.7254 105.7615 105.8374 105.8461 105.8668 105.8678 105.8772 105.9190 105.9488 105.9738 105.9889 105.9956 106.0477 106.0761 106.1306 106.1459 106.1760 106.2022 106.2262 106.2548 106.2622 106.3224 106.3430 106.3518 106.3953 106.4274 106.4519 106.4812 106.5409 106.5540 106.5962 106.6414 106.6668 106.7137 106.7427 106.7849 106.7900 106.8310 106.8388 106.9201 106.9346 106.9966 107.0361 107.0938 107.1126 107.1259 107.1576 107.2009 107.2083 107.2556 107.3314 107.3438 107.3688 107.4277 107.4576 107.4619 107.4836 107.5341 107.5712 107.5888 107.6074 107.6276 107.6726 107.6960 107.7265 107.7467 107.8272 107.8536 107.8847 107.9382 107.9563 108.0024 108.0179 108.0769 108.1587 108.1778 108.1891 108.2272 108.2880 108.3176 108.3604 108.4548 108.4842 108.5574 108.6080 108.6937 108.7149 108.7298 108.7846 108.8268 108.8913 108.9560 108.9625 108.9931 109.0511 109.0656 109.0893 109.1269 109.1867 109.2187 109.2641 109.3188 109.3846 109.4246 109.4717 109.4909 109.5608 109.5815 109.6307 109.6773 109.6969 109.7126 109.7426 109.7754 109.8167 109.8760 109.9231 109.9663 110.0105 110.0451 110.0590 110.1411 110.1685 110.2523 110.3173 110.3436 110.3699 110.3936 110.4559 110.5012 110.5920 110.6216 110.6535 110.6844 110.7323 110.7444 110.7692 110.8257 110.8637 110.9344 110.9621 111.0005 111.0347 111.0470 111.0783 111.1140 111.1474 111.1769 111.2608 111.2674 111.3125 111.4205 111.4550 111.4974 111.5269 111.5872 111.6262 111.6357 111.6565 111.6869 111.7008 111.7401 111.7838 111.8517 112.0020 112.0592 112.1143 112.1618 112.1984 112.2231 112.2338 112.2638 112.2786 112.3317 112.3863 112.4076 112.4360 112.4422 112.4855 112.5317 112.5401 112.5742 112.6066 112.6294 112.7048 112.7378 112.7565 112.7679 112.8219 112.8604 112.9036 112.9153 112.9360 112.9558 113.0217 113.0338 113.0511 113.0557 113.1070 113.1314 113.1674 113.2210 113.2221 113.2470 113.2967 113.3184 113.3653 113.3921 113.4113 113.4534 113.5035 113.5134 113.5303 113.5679 113.5890 113.6489 113.6672 113.6833 113.7319 113.7649 113.7921 113.8510 113.8730 113.8929 113.9194 113.9345 113.9546 113.9828 113.9954 114.0202 114.0760 114.0999 114.1020 114.1475 114.1721 114.1898 114.2185 114.2478 114.2682 114.2912 114.3190 114.3476 114.3975 114.4268 114.4559 114.4821 114.5188 114.5372 114.5909 114.6241 114.6287 114.6601 114.7139 114.7379 114.7596 114.7900 114.8056 114.8232 114.8472 114.8583 114.9237 114.9315 114.9559 114.9901 115.0070 115.0477 115.0892 115.1341 115.1751 115.2145 115.2387 115.2705 115.3253 115.3732 115.3968 115.4109 115.4575 115.4963 115.5313 115.5677 115.6528 115.6583 115.6817 115.7178 115.7563 115.7681 115.8063 115.8213 115.8608 115.9052 115.9475 115.9681 115.9927 116.0284 116.0851 116.1110 116.1560 116.1731 116.1923 116.2081 116.2493 116.2560 116.3362 116.3432 116.4199 116.4516 116.4907 116.5158 116.5325 116.5535 116.5986 116.6185 116.6470 116.6787 116.6861 116.7328 116.7461 116.7786 116.8379 116.8513 116.8796 116.8902 116.9323 117.0071 117.0571 117.0891 117.0947 117.1270 117.1685 117.1874 117.2359 117.2537 117.2802 117.3166 117.3724 117.3926 117.4155 117.4433 117.4891 117.5212 117.5572 117.5663 117.5692 117.6387 117.6880 117.7057 117.7293 117.7713 117.8008 117.8395 117.8903 117.9118 117.9430 118.0053 118.0435 118.0731 118.0779 118.1470 118.1793 118.2041 118.2173 118.2543 118.2657 118.2790 118.3135 118.3541 118.3804 118.4261 118.4342 118.4979 118.5231 118.5537 118.5729 118.5872 118.6418 118.6782 118.7308 118.7558 118.7868 118.8125 118.8583 118.9006 118.9406 118.9771 118.9901 119.0279 119.0652 119.1200 119.1649 119.1846 119.2113 119.2614 119.2751 119.3129 119.3721 119.3789 119.4051 119.4433 119.4851 119.5100 119.5311 119.5525 119.5746 119.6308 119.6463 119.6780 119.7258 119.7620 119.7868 119.7926 119.8127 119.8526 119.8674 119.9125 119.9300 119.9628 119.9904 120.0129 120.0306 120.0680 120.0734 120.1083 120.1440 120.1612 120.1835 120.2373 120.2627 120.3148 120.3293 120.3418 120.3609 120.4341 120.5133 120.5583 120.5664 120.6072 120.6497 120.6984 120.7507 120.7653 120.7994 120.8404 120.8675 120.8781 120.9209 120.9632 120.9843 121.0370 121.0877 121.1249 121.1631 121.1943 121.2696 121.2795 121.3336 121.3686 121.4437 121.4692 121.5154 121.5965 121.6349 121.6661 121.7185 121.7450 121.7950 121.8238 121.8601 121.9255 121.9650 121.9832 122.0219 122.0456 122.0833 122.1024 122.1629 122.1758 122.2245 122.2295 122.2831 122.3064 122.3452 122.3689 122.3884 122.4386 122.4553 122.5016 122.5382 122.6108 122.6225 122.6454 122.6791 122.7383 122.7421 122.7625 122.8497 122.9065 122.9211 122.9818 122.9920 123.0384 123.0746 123.0955 123.1228 123.1501 123.2061 123.2268 123.2386 123.2904 123.3083 123.3351 123.4000 123.4232 123.4780 123.5013 123.5744 123.6646 123.7169 123.7545 123.8085 123.8700 123.8922 123.9313 124.0126 124.0780 124.0917 124.1760 124.2084 124.2514 124.3376 124.4763 124.5051 124.5291 124.5797 124.6721 124.7116 124.7415 124.7656 124.8059 124.8443 124.8537 124.9433 124.9793 125.0163 125.1118 125.2036 125.2715 125.3846 125.3879 125.4649 125.4968 125.5363 125.5599 125.6355 125.6754 125.7315 125.7962 125.9088 125.9396 125.9760 126.0795 126.0992 126.1228 126.2188 126.2470 126.2905 126.3717 126.4081 126.4353 126.4689 126.5478 126.6097 126.6705 126.7058 126.7886 126.8301 126.8885 126.9836 127.0287 127.0412 127.1138 127.1402 127.2321 127.2984 127.3107 127.3167 127.3667 127.4042 127.4422 127.5036 127.5585 127.5793 127.5983 127.6427 127.6960 127.7166 127.7805 127.8046 127.8469 127.8670 127.9505 128.0000 128.0812 128.1316 128.1748 128.2207 128.3292 128.3835 128.4281 128.4617 128.5277 128.5514 128.5846 128.6275 128.6922 128.6945 128.8005 128.8783 128.9124 128.9523 128.9839 129.0464 129.1263 129.1304 129.1411 129.2114 129.3080 129.3545 129.3751 129.4133 129.4741 129.5423 129.6508 129.6952 129.8361 129.8429 129.8677 129.9489 129.9816 130.0762 130.1507 130.1631 130.1866 130.2557 130.3744 130.4146 130.5004 130.5307 130.5584 130.5743 130.6449 130.7644 130.8259 130.8756 130.9175 130.9753 131.0348 131.0540 131.1137 131.1685 131.2478 131.2918 131.3505 131.3849 131.5207 131.5968 131.6145 131.6280 131.6707 131.8026 131.8606 131.8981 131.9507 131.9888 132.0324 132.0880 132.1508 132.2368 132.2445 132.3486 132.3742 132.4273 132.4782 132.4949 132.5183 132.5601 132.6482 132.6697 132.7755 132.8366 132.8952 133.0081 133.0909 133.0982 133.1065 133.2212 133.2826 133.3498 133.3798 133.3979 133.5344 133.5637 133.5942 133.6720 133.6888 133.7738 133.8566 133.8845 133.9978 134.0851 134.1618 134.2014 134.2181 134.3068 134.3531 134.4248 134.4664 134.5180 134.5359 134.5604 134.6617 134.8397 135.0068 135.0463 135.1231 135.1842 135.2933 135.4037 135.4249 135.5383 135.5567 135.6002 135.6320 135.7283 135.8169 135.8836 136.0049 136.0570 136.1231 136.1419 136.3202 136.3994 136.4798 136.5387 136.6038 136.6746 136.7742 136.9094 136.9876 137.0217 137.1518 137.2579 137.3601 137.4162 137.4646 137.5838 137.6172 137.6856 137.7385 137.8041 137.8797 137.9714 138.0269 138.1315 138.1454 138.2563 138.3469 138.4585 138.5693 138.6729 138.6973 138.8529 138.9287 139.0020 139.0409 139.2007 139.2335 139.3540 139.4216 139.5648 139.6188 139.6463 139.8398 140.0125 140.0727 140.0950 140.1218 140.2269 140.3182 140.4041 140.4924 140.5058 140.6036 140.7459 140.8621 140.8890 140.9273 141.0827 141.1141 141.1716 141.3043 141.3308 141.4643 141.4937 141.5885 141.6680 141.7450 141.7836 141.8215 141.8987 141.9275 142.0180 142.0637 142.1443 142.1782 142.3495 142.4036 142.4323 142.4717 142.4872 142.5426 142.6368 142.7597 142.7919 142.8069 142.8515 142.8837 142.9163 142.9536 142.9911 143.0633 143.0825 143.0894 143.1273 143.1747 143.2517 143.3044 143.3458 143.4257 143.4718 143.5300 143.5445 143.7347 143.7682 143.8229 143.9486 144.0081 144.0798 144.0969 144.1549 144.2677 144.3264 144.3707 144.4646 144.5193 144.6151 144.6512 145.0240 145.0783 145.1539 145.2257 145.3254 145.8772 145.9002 145.9712 146.1130 146.1725 146.3862 146.5223 146.6232 146.7469 146.7935 146.8765 147.1659 147.3745 147.4092 147.4226 147.4941 147.5838 147.7668 147.9300 148.1378 148.2562 148.3842 148.4731 148.6504 148.9409 149.0712 149.2367 149.4073 149.5091 149.7676 150.1588 150.8060 151.4483 151.8760 152.3597 152.4780 153.2677 153.9809 154.2568 154.3185 154.4038 154.4671 154.5664 154.7240 154.9180 154.9630 155.0163 155.1630 155.3553 155.5031 156.4118 156.8443 157.0213 157.0994 157.1573 157.1953 157.1986 157.3186 157.4769 157.5892 157.8205 157.8504 157.8980 158.3482 158.4133 158.6669 159.3445 159.5131 159.6480 161.0865 161.5535 161.8682 163.0492 163.5789 164.0404 166.0076 166.7361 167.2399 168.0625 168.6310 170.8755 171.0254 171.0745 171.1461 171.1875 171.2280 171.5801 171.7510 171.8140 172.1021 172.2335 175.4713 175.6581 176.1101 176.2781 176.5000 176.5305 176.5868 176.9707 177.0626 177.1553 177.3454 177.3871 177.4098 177.5265 177.5909 177.8353 177.9649 177.9804 178.0757 178.4839 178.7026 180.0181 180.3421 180.3495 180.5762 180.6315 180.6535 181.0131 181.5071 181.9806 182.0420 182.2040 182.2922 182.3909 182.4256 182.4770 182.7180 182.7667 182.8241 183.1613 183.7050 188.7284 188.7432 188.7515 188.8039 189.4921 189.5676 189.6394 189.9783 190.4329 190.8439 192.9146 193.3729 193.6077 193.8757 193.9004 194.0123 194.1504 194.5192 195.0240 195.1136 195.2745 195.8452 195.8921 196.8249 196.8695 196.9514 197.9991 198.6146 198.6209 199.7097 209.3993 209.5048 209.9418 209.9622 209.9643 210.5065 210.6392 210.7031 211.6678 213.4314 214.1089 214.9260 215.2811 216.3509 217.8038 217.9296 218.8391 219.1003 220.1616 221.3587 610.1869 610.2644 610.6738 610.7069 610.9207 611.2908 611.3937 611.5411 611.9235 612.1041 612.4171 612.6907 612.9049 613.0404 613.1446 613.2546 613.3755 613.4173 613.4800 613.5674 613.7384 613.8605 614.0638 614.0748 614.3016 614.3912 614.6102 614.7462 614.8459 615.0367 615.3430 615.5017 615.5824 615.6515 615.7071 616.1460 616.2891 616.3839 616.4038 616.6279 616.7672 616.9433 617.4331 617.5283 617.5467 617.6740 617.9174 617.9807 618.1173 618.4882 618.5460 618.5952 618.8175 619.1115 619.1414 619.3695 619.4765 619.5019 619.5748 619.6287 619.8878 620.0787 620.1124 620.2342 620.2747 620.3400 620.3906 620.5609 620.6539 620.8258 620.9714 621.0642 621.4836 621.5865 621.7236 622.0161 622.4263 622.6913 622.9025 622.9423 623.0896 623.2990 623.4568 623.8868 624.1095 624.1740 624.7277 624.8284 625.0108 625.1219 625.2608 625.3626 625.4480 626.0087 626.2989 626.5702 626.7109 628.0685 629.5849 632.2234 632.3207 632.9401 633.1793 633.2102 633.4238 633.5497 633.6376 633.7261 633.7978 634.1496 634.9143 635.9646 637.4545 638.4716 639.2478 639.3848 639.6835 639.9916 640.1355 640.5114 640.8149 640.9471 640.9783 641.0545 884.3328 893.7594 895.3904 900.3800 1199.6471 1200.6211 1201.0703 1201.3341 1202.3743 1203.2902 1204.2407 1205.3064 1205.6786 1205.9864</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="319">0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="319">Cu C N N C C C C C C C C C C N H H H H H H H C C C H H C N C H H H C H C H H H C C H C C H C C H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="319">-0.154560 -0.422893 -0.068624 0.109928 -0.125687 -0.056413 -0.054724 -0.208634 0.142169 0.117316 -0.246061 -0.049363 -0.235978 0.170330 -0.075675 0.190942 0.137103 0.145580 0.175446 0.168741 0.142012 0.150789 -0.102596 -0.108551 -0.136463 0.154671 0.165929 -0.243358 0.019762 0.236151 0.179188 0.180320 0.153785 -0.383525 0.109812 0.099833 0.176993 0.169049 0.119007 0.263366 -0.173268 0.132806 -0.214011 -0.009059 0.118230 -0.097620 -0.186881 0.119512 0.159007 -0.129744 -0.149906 -0.351423 0.302147 -0.099559 -0.236282 0.030097 -0.263527 -0.292337 0.101146 -0.272425 -0.403695 -0.061565 0.149882 0.149017 0.147248 0.131762 0.117860 0.132921 0.129131 0.082036 0.168044 0.148712 0.134938 0.140808 0.161487 0.042677 -0.108510 -0.152405 -0.277530 0.385774 -0.077909 -0.231005 0.082235 -0.334271 -0.304284 -0.024681 -0.229353 -0.385427 -0.178786 0.154112 0.138950 0.150423 0.119140 0.090078 0.078033 0.056091 0.163535 0.157651 0.148763 0.105829 0.141564 0.159162 0.152932 -0.110234 -0.107670 -0.314902 0.329911 -0.020445 -0.213367 -0.002705 -0.261801 -0.285600 0.082513 -0.236465 -0.387037 -0.292354 0.155789 0.142835 0.150616 0.132371 0.120242 0.138662 0.141213 0.121054 0.094960 0.150006 0.141780 0.084276 0.150070 0.135103 -0.119507 -0.133762 -0.329858 0.382277 -0.100009 -0.269390 0.085346 -0.220338 -0.367512 -0.067847 -0.232440 -0.395343 -0.170680 0.150150 0.128277 0.139998 0.120710 0.108149 0.159080 0.130633 0.161025 0.147920 0.146402 0.137737 0.118305 0.162213 0.142054 -0.112729 -0.098776 -0.318926 0.293980 -0.082499 -0.262113 0.060928 -0.258259 -0.285556 0.009519 -0.264757 -0.393833 -0.179516 0.125388 0.099397 0.144997 0.131616 0.111365 0.140060 0.116992 0.177829 0.163351 0.150594 0.135659 0.128498 0.159357 0.145943 -0.135430 -0.138767 -0.359333 0.293084 -0.009744 -0.377084 0.092677 -0.295752 -0.291109 -0.006089 -0.230358 -0.394234 -0.141470 0.138907 0.161257 0.145376 0.134757 0.117744 0.136860 0.120768 0.168492 0.156894 0.148290 0.128789 0.131053 0.155437 0.167100 -0.152177 -0.109566 -0.338716 0.244483 0.014528 -0.242923 -0.015249 -0.255452 -0.295187 0.108863 -0.324418 -0.389234 -0.200247 0.132385 0.096178 0.137101 0.131936 0.117294 0.139089 0.142681 0.180551 0.175709 0.150872 0.131686 0.132160 0.156828 0.160244 -0.101360 -0.117585 -0.253908 0.279635 -0.093165 -0.214910 0.051127 -0.295233 -0.390086 -0.024784 -0.235750 -0.393867 -0.172052 0.156718 0.124071 0.153172 0.139120 0.089427 0.136571 0.112474 0.166857 0.157117 0.155065 0.127454 0.129838 0.163150 0.154538 -0.134416 -0.105877 -0.242289 0.199302 -0.061149 -0.234472 0.052139 -0.305332 -0.311777 0.109421 -0.223670 -0.514786 -0.181905 0.145138 0.130701 0.101895 0.104916 0.116185 0.124739 0.147651 0.178449 0.169572 0.127526 0.171922 0.125192 0.131729 0.148566 -0.145206 -0.093456 -0.284666 0.240339 -0.060217 -0.311445 0.074561 -0.281419 -0.301620 0.001825 -0.223810 -0.392691 -0.189806 0.164770 0.125482 0.134543 0.134018 0.116845 0.141103 0.147872 0.181042 0.163120 0.139919 0.137346 0.130673 0.153914 0.142108</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="319">0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="319">Cu C N N C C C C C C C C C C N H H H H H H H C C C H H C N C H H H C H C H H H C C H C C H C C H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="319">-0.236468 -0.346221 0.241444 0.280740 -0.155580 -0.105472 -0.073822 -0.087367 -0.153370 -0.156333 -0.082433 -0.104175 -0.076933 -0.161937 -0.057965 0.143953 0.156782 0.157342 0.160454 0.156817 0.152875 0.142325 -0.092878 -0.127973 -0.149343 0.151446 0.153887 -0.084258 0.261918 -0.134700 0.159340 0.151478 0.151015 -0.247808 0.132642 0.026698 0.158273 0.168676 0.151475 -0.151599 -0.050509 0.152058 -0.055957 -0.119014 0.150376 -0.142883 -0.092725 0.137460 0.150043 0.280842 0.304042 0.146488 -0.237361 -0.277610 -0.171629 -0.184135 -0.206244 -0.183389 -0.254019 -0.387200 -0.235948 -0.384872 0.153883 0.152526 0.147993 0.135730 0.136325 0.141653 0.140175 0.133015 0.142211 0.130519 0.125923 0.126924 0.139294 0.143173 0.246975 0.297971 0.138832 -0.237567 -0.282864 -0.169542 -0.180337 -0.218259 -0.203818 -0.258193 -0.379039 -0.237040 -0.402153 0.155944 0.150326 0.147882 0.131033 0.124437 0.127012 0.135758 0.138211 0.134997 0.129351 0.118648 0.129750 0.138959 0.137542 0.264550 0.295911 0.131020 -0.237934 -0.272220 -0.168447 -0.183916 -0.204181 -0.180647 -0.257707 -0.391416 -0.237209 -0.400030 0.153105 0.154815 0.148036 0.135645 0.137953 0.142306 0.144541 0.123612 0.124980 0.129906 0.129183 0.120277 0.139881 0.133500 0.241495 0.297393 0.137568 -0.240532 -0.289337 -0.183921 -0.184852 -0.208245 -0.190271 -0.259991 -0.382981 -0.237684 -0.405663 0.146748 0.151167 0.144430 0.130572 0.136701 0.141666 0.141931 0.137284 0.130462 0.129630 0.128831 0.123251 0.139972 0.134899 0.283224 0.264584 0.135732 -0.236871 -0.280805 -0.190694 -0.191294 -0.207338 -0.178786 -0.259804 -0.399250 -0.235368 -0.382682 0.143647 0.144113 0.139957 0.136071 0.128233 0.143815 0.142142 0.134617 0.135638 0.130857 0.128046 0.126263 0.136072 0.134851 0.242434 0.294653 0.130140 -0.237954 -0.277961 -0.186647 -0.188275 -0.206036 -0.180417 -0.256627 -0.388487 -0.233178 -0.409202 0.149657 0.145145 0.147188 0.135297 0.132857 0.142726 0.141119 0.136845 0.136849 0.132465 0.126403 0.126024 0.135342 0.132999 0.315205 0.246999 0.143211 -0.234803 -0.268711 -0.185104 -0.197656 -0.205242 -0.174576 -0.258388 -0.425477 -0.235281 -0.378041 0.150668 0.140843 0.137781 0.134637 0.135171 0.142809 0.146344 0.135582 0.132559 0.128390 0.127539 0.127215 0.135189 0.131720 0.249458 0.278251 0.140941 -0.242594 -0.292007 -0.171573 -0.182749 -0.217355 -0.197951 -0.259322 -0.377738 -0.234730 -0.394412 0.156644 0.148729 0.148826 0.136771 0.125895 0.141101 0.135433 0.138154 0.134358 0.133086 0.125258 0.126532 0.137417 0.138868 0.295178 0.248142 0.148718 -0.237185 -0.280578 -0.182213 -0.199332 -0.216558 -0.191035 -0.256033 -0.410395 -0.244884 -0.380873 0.148698 0.147468 0.134469 0.133309 0.136636 0.139014 0.142049 0.141013 0.128750 0.119575 0.131453 0.119818 0.128355 0.136527 0.274067 0.250418 0.153325 -0.238379 -0.281260 -0.191522 -0.194946 -0.206958 -0.179013 -0.260927 -0.398797 -0.237278 -0.376397 0.151697 0.146209 0.138734 0.134741 0.134173 0.142402 0.146479 0.143308 0.136653 0.126915 0.129164 0.126587 0.133614 0.133742</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="319">0 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="319">Cu C N N C C C C C C C C C C N H H H H H H H C C C H H C N C H H H C H C H H H C C H C C H C C H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H Br Br O C C C C C C C C C C H H H H H H H H H H H H H H</array>
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                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="352">0.7398 0.4830 0.4536 0.4771 0.2825 2.7407 -0.1531 1.4509 1.1249 0.1038 1.3401 1.2680 -0.1229 1.4352 0.9153 1.4077 0.9690 1.4225 0.9673 1.4356 0.9741 0.9256 1.4291 1.3962 0.1146 0.9204 1.4565 0.9431 1.3641 0.9661 0.9288 1.3800 0.9545 1.4804 1.4061 0.9644 1.4580 0.9657 1.4158 0.9374 1.1962 0.9840 0.9400 1.0433 0.9006 0.9242 1.1825 0.9879 1.1382 1.1044 1.4695 0.1223 0.9992 1.4193 0.9834 1.3269 1.3430 0.9727 0.9745 1.0072 0.9219 1.9526 0.8391 0.9122 0.8552 0.9594 1.0248 0.9781 0.9254 0.9620 0.9319 0.9679 0.9376 1.0298 0.9762 0.9685 0.9663 0.9646 0.9818 0.9463 0.9838 0.9602 0.9713 0.9697 0.9788 0.9587 1.0070 1.0399 0.9207 2.2024 0.8068 -0.1312 0.1132 0.9166 0.8851 0.9306 1.0271 0.9282 0.1326 0.9380 0.9566 0.9449 0.9729 0.9315 1.0108 0.9627 0.9798 0.9513 0.9727 0.9719 0.9686 0.9541 0.9653 0.9681 0.9742 0.9667 0.9800 0.9613 1.0311 0.9890 2.0822 0.8558 -0.1095 0.9302 0.8538 0.8473 1.0246 0.9661 0.9401 0.9506 0.9409 0.9654 0.9350 1.0208 0.9808 0.9646 0.9694 0.9596 0.9840 0.9537 0.9431 0.9801 0.9698 0.9751 0.9829 0.9961 0.9702 1.0367 0.9908 2.0607 0.8508 0.9220 0.8672 0.8890 0.9861 0.1006 0.9755 0.9306 0.9315 0.9689 0.9929 0.9360 1.0401 0.9775 0.9514 0.9581 0.9395 0.9717 0.9666 0.9573 0.9661 0.9711 0.9775 0.9754 0.9729 0.9683 1.0108 1.0402 2.0458 0.8595 -0.1059 0.9125 0.9038 0.9140 1.0049 0.9727 0.9212 0.9470 0.9272 0.9659 0.9201 1.0296 0.9724 0.9812 0.9562 0.9852 0.9540 0.9708 0.9468 0.9666 0.9687 0.9759 0.9744 0.9686 0.9695 1.0062 0.9481 1.9562 0.8656 0.9115 0.8874 0.9398 0.9869 0.1061 0.9510 0.1250 0.9302 0.9641 0.9021 0.9690 0.9445 1.0370 0.9743 0.9797 0.9562 0.9698 0.9652 0.9640 0.9547 0.9593 0.9708 0.9763 0.9782 0.9624 0.9607 0.9493 1.0265 2.0447 0.8688 0.9054 0.8988 0.9056 1.0132 0.9713 0.9307 0.9567 0.9225 0.9591 0.9440 1.0289 0.9817 0.9689 0.9713 0.9615 0.9469 0.9734 0.9516 0.9624 0.9676 0.9717 0.9790 0.9656 0.9742 1.0424 1.0125 2.2296 0.8192 -0.1292 0.9036 0.8796 0.9197 1.0174 0.9362 0.1063 0.9354 0.9645 0.9468 0.9618 0.9337 1.0063 0.9651 0.9943 0.9648 0.9645 0.9799 0.9611 0.9544 0.9642 0.9668 0.9742 0.9748 0.9700 0.9653 0.9637 1.0567 2.3119 0.8419 -0.1491 0.9482 0.8788 0.9413 0.9947 0.9369 0.1027 0.9373 0.9550 0.9480 0.9578 0.9262 0.9959 0.9824 0.9568 0.9726 0.9697 0.9377 0.9505 0.9552 0.9632 0.9747 0.9670 0.9613 0.9778 0.9619 0.9710 1.0661 2.1475 0.8818 -0.1090 0.9114 0.9010 0.9255 0.9857 0.9408 0.9308 0.9364 0.9089 0.9684 0.9388 1.0222 0.9775 0.9785 0.9754 0.9643 0.9463 0.9723 0.9577 0.9658 0.9698 0.9759 0.9774 0.9686 0.9698</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="352">0 1 0 2 0 3 0 28 0 35 1 14 2 3 2 4 2 8 2 9 3 9 3 13 3 28 4 5 4 15 5 6 5 16 6 7 6 17 7 8 7 18 8 9 9 10 10 11 10 12 10 19 11 12 11 21 12 13 12 20 13 29 22 23 22 25 22 27 23 24 23 26 24 28 24 31 27 29 27 30 28 29 32 33 33 34 33 35 33 36 35 37 35 39 38 40 39 40 39 42 40 43 40 46 41 42 42 45 43 44 43 46 45 46 45 47 46 48 49 59 50 61 51 53 52 53 52 57 52 58 52 61 53 54 54 55 54 62 54 63 55 56 55 58 55 64 56 57 56 65 56 66 57 67 57 68 58 59 58 60 59 69 59 70 60 71 60 72 60 73 61 74 61 75 76 86 77 88 78 80 79 80 79 81 79 82 79 84 79 85 79 88 80 81 81 82 81 83 81 89 81 90 82 83 82 85 82 91 83 84 83 92 83 93 84 94 84 95 85 86 85 87 86 96 86 97 87 98 87 99 87 100 88 101 88 102 103 113 104 115 105 107 106 107 106 108 106 111 106 112 106 115 107 108 108 109 108 116 108 117 109 110 109 112 109 118 110 111 110 119 110 120 111 121 111 122 112 113 112 114 113 123 113 124 114 125 114 126 114 127 115 128 115 129 130 140 131 142 132 134 133 134 133 138 133 139 133 142 134 135 134 139 135 136 135 143 135 144 136 137 136 139 136 145 137 138 137 146 137 147 138 148 138 149 139 140 139 141 140 150 140 151 141 152 141 153 141 154 142 155 142 156 157 167 158 169 159 161 160 161 160 162 160 165 160 166 160 169 161 162 162 163 162 170 162 171 163 164 163 166 163 172 164 165 164 173 164 174 165 175 165 176 166 167 166 168 167 177 167 178 168 179 168 180 168 181 169 182 169 183 184 194 185 196 186 188 187 188 187 192 187 193 187 196 188 189 188 192 189 190 189 191 189 197 189 198 190 191 190 193 190 199 191 192 191 200 191 201 192 202 192 203 193 194 193 195 194 204 194 205 195 206 195 207 195 208 196 209 196 210 211 221 212 223 213 215 214 215 214 219 214 220 214 223 215 216 216 217 216 224 216 225 217 218 217 220 217 226 218 219 218 227 218 228 219 229 219 230 220 221 220 222 221 231 221 232 222 233 222 234 222 235 223 236 223 237 238 248 239 250 240 242 241 242 241 243 241 246 241 247 241 250 242 243 243 244 243 245 243 251 243 252 244 245 244 247 244 253 245 246 245 254 245 255 246 256 246 257 247 248 247 249 248 258 248 259 249 260 249 261 249 262 250 263 250 264 265 275 266 277 267 269 268 269 268 270 268 273 268 274 268 277 269 270 270 271 270 272 270 278 270 279 271 272 271 274 271 280 272 273 272 281 272 282 273 283 273 284 274 275 274 276 275 285 275 286 276 287 276 288 276 289 277 290 277 291 292 302 293 304 294 296 295 296 295 297 295 300 295 301 295 304 296 297 297 298 297 305 297 306 298 299 298 301 298 307 299 300 299 308 299 309 300 310 300 311 301 302 301 303 302 312 302 313 303 314 303 315 303 316 304 317 304 318</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-58919.796370085707</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">53.16307 -52.08179 1.08128 -37.85195 33.61640 -4.23555 6.45969 -1.71602 4.74367</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">6.45069</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">16.39636</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
