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                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="2962" startLine="2955">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task GeometryOptimization</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.748642 1.296686 4.951346 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.934208 0.0 6.296852 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.582043 2.802733 1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.175624 1.339253 3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.024494 0.0 1.652028 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.697363 2.939919 2.092384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.521512 0.0 2.319963 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        S 0.0 0.0 1.554604 adf.R=1.792</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.221983 1.763198 1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.168916 0.0 4.761413 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.71723 -1.646882 0.0 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.748642 -1.296686 4.951346 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.582043 -2.802733 1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.175624 -1.339253 3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.697363 -2.939919 2.092384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.221983 -1.763198 1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.06762700000000001 -3.176631 0.0 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.784857 1.529749 0.0 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.497284 0.0 4.951346 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.467104 -2.541099 6.296852 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.467104 2.541099 6.296852 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.136217 -5.369532 1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.71826 2.566799 1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.427985 -3.419797 3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.747639 2.080544 3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.012247 -3.485314 1.652028 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.012247 3.485314 1.652028 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.394726 0.0 2.092384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.760756 -1.317668 2.319963 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.760756 1.317668 2.319963 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.08401699999999999 -3.671918 1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.137966 1.90872 1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.084458 -1.878336 4.761413 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.084458 1.878336 4.761413 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.784857 -1.529749 0.0 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.06762700000000001 3.176631 0.0 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.71826 -2.566799 1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.136217 5.369532 1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.747639 -2.080544 3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.427985 3.419797 3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.137966 -1.90872 1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.08401699999999999 3.671918 1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.748642 1.296686 -4.951346 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.934208 0.0 -6.296852 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.582043 2.802733 -1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.175624 1.339253 -3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.024494 0.0 -1.652028 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.697363 2.939919 -2.092384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.521512 0.0 -2.319963 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        S 0.0 0.0 -1.554604 adf.R=1.792</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.221983 1.763198 -1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.168916 0.0 -4.761413 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.748642 -1.296686 -4.951346 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.582043 -2.802733 -1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.175624 -1.339253 -3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.697363 -2.939919 -2.092384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.221983 -1.763198 -1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.497284 0.0 -4.951346 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.467104 -2.541099 -6.296852 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.467104 2.541099 -6.296852 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.136217 -5.369532 -1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.71826 2.566799 -1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.427985 -3.419797 -3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.747639 2.080544 -3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.012247 -3.485314 -1.652028 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.012247 3.485314 -1.652028 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.394726 0.0 -2.092384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.760756 -1.317668 -2.319963 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.760756 1.317668 -2.319963 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.08401699999999999 -3.671918 -1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.137966 1.90872 -1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.084458 -1.878336 -4.761413 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.084458 1.878336 -4.761413 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.71826 -2.566799 -1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.136217 5.369532 -1.773405 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.747639 -2.080544 -3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.427985 3.419797 -3.774384 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.137966 -1.90872 -1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.08401699999999999 3.671918 -1.874801 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -4.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 9 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 30 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 31 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 1 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 4 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 5 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 6 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 2 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 3 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 5 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         17 6 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         17 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         17 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         17 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         17 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         33 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         33 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         33 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         33 28 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         33 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         34 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         34 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         34 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         34 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         34 40 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         35 2 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         35 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         35 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         35 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         35 41 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 36 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 38 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 40 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         43 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         43 28 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         43 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         43 39 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         43 41 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 51 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 69 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 70 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 1 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 46 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 49 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 44 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 55 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 44 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         79 36 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         79 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         79 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         79 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         79 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         80 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         80 49 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         80 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         80 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         80 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Engine ADF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Basis</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Type TZP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Hybrid B3LYP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Solvation</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Surf Delley</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Solv name=Water cav0=0.0 cav1=0.0067639</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Charged method=CONJ</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        C-Mat POT</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        SCF VAR ALL </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        CSMRSP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    SCF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Iterations 10000</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
                     <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:charge">-4</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="-2.674707"
                        y3="1.655681"
                        z3="0.000000"/>
                  <atom elementType="O"
                        id="a2"
                        x3="-0.765617"
                        y3="1.322167"
                        z3="5.003429"/>
                  <atom elementType="O"
                        id="a3"
                        x3="-2.975996"
                        y3="0.000000"
                        z3="6.316181"/>
                  <atom elementType="O"
                        id="a4"
                        x3="-4.597451"
                        y3="2.823344"
                        z3="1.794045"/>
                  <atom elementType="O"
                        id="a5"
                        x3="-3.181967"
                        y3="1.348535"
                        z3="3.783150"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-4.024578"
                        y3="0.000000"
                        z3="1.644744"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-1.725558"
                        y3="2.989464"
                        z3="2.138244"/>
                  <atom elementType="O"
                        id="a8"
                        x3="-1.421668"
                        y3="0.000000"
                        z3="2.298514"/>
                  <atom elementType="S"
                        id="a9"
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                     <array dataType="xsd:double" dictRef="a:mdcq" size="80">-0.74466624 -0.80453429 -0.63975473 -0.63486792 -0.79794924 -0.82698869 -0.81494398 -0.79428569 1.08173235 2.14493842 2.16511357 -0.74466636 -0.80453448 -0.63486740 -0.79794717 -0.81494471 2.14493933 -0.73877198 -0.74231553 -0.80767334 -0.63966148 -0.63966235 -0.63637663 -0.63400585 -0.79899607 -0.79874962 -0.82599175 -0.82599198 -0.82061763 -0.78302074 -0.78302058 2.14346080 2.14462070 2.17018867 2.17018930 -0.74231564 -0.73877189 -0.63400591 -0.63637605 -0.79874856 -0.79899664 2.14462075 2.14346095 -0.80453466 -0.63975128 -0.63486697 -0.79794958 -0.82698934 -0.81494374 -0.79428561 1.08173211 2.14493846 2.16511300 -0.80453458 -0.63486663 -0.79794760 -0.81494454 2.14493938 -0.80767317 -0.63966048 -0.63966082 -0.63637640 -0.63400555 -0.79899639 -0.79874960 -0.82599205 -0.82599187 -0.82061777 -0.78302068 -0.78302062 2.14346106 2.14462076 2.17018807 2.17018842 -0.63400520 -0.63637596 -0.79874893 -0.79899706 2.14462083 2.14346127</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-625.714375</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">604.356885</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-31.520972</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-744.964320</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-16.129965</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-813.972745</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="80">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="80">O O O O O O O O S W W O O O O O W O O O O O O O O O O O O O O W W W W O O O O O O W W O O O O O O O S W W O O O O W O O O O O O O O O O O O W W W W O O O O W W</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="80">-1.03690081 -1.03058688 -0.80099220 -0.79374775 -1.03809082 -1.02483181 -1.05054455 -1.00403163 1.62132759 2.81243666 2.77744520 -1.03690196 -1.03058685 -0.79374874 -1.03809195 -1.05054449 2.81248360 -1.03622227 -1.03706730 -1.03098142 -0.80107415 -0.80107513 -0.79414137 -0.79368376 -1.03743314 -1.03810144 -1.02372337 -1.02372452 -1.05045357 -1.00251631 -1.00251591 2.81155708 2.81243006 2.77848764 2.77850056 -1.03706987 -1.03622214 -0.79368385 -0.79414115 -1.03810277 -1.03743466 2.81247963 2.81159950 -1.03058646 -0.80098921 -0.79374737 -1.03808983 -1.02483246 -1.05054603 -1.00403194 1.62132558 2.81244503 2.77744619 -1.03058642 -0.79374804 -1.03809057 -1.05054559 2.81249308 -1.03098083 -0.80107234 -0.80107322 -0.79414174 -0.79368427 -1.03743168 -1.03810005 -1.02372417 -1.02372510 -1.05045486 -1.00251626 -1.00251610 2.81156579 2.81243847 2.77848633 2.77849727 -0.79368370 -0.79414170 -1.03810205 -1.03743287 2.81248951 2.81160865</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">0.01842913 -0.00001765 -0.00004769</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">0.000051</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">39.64672001 0.00006597 0.00021703 39.88995545 -0.00003674 -79.53667547</array>
               </module>
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1648">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 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40.647551 40.693047 40.695339 40.751451 40.759004 40.758845 40.984487 41.002577 41.109487 41.136993 41.190829 41.198070 41.346026 41.363010 41.509159 41.515683 41.570019 41.577038 41.728833 41.810407 41.830994 41.891708 41.895673 41.896122 42.054285 42.058921 42.361949 42.373994 42.657506 42.672154 42.752388 42.844552 42.848239 42.916860 42.917499 43.104805 43.124756 43.170361 43.174711 43.490374 43.536276 43.536309 43.589295 43.607762 43.751069 43.751754 43.963908 44.109283 44.123960 44.305248 44.323395 44.332985 44.503916 44.513242 44.517662 44.527718 44.557868 44.611619 45.027077 45.303376 45.422321 45.429169 45.528303 45.529811 45.564085 45.853411 45.870957 45.927323 45.938172 45.963968 46.062989 46.207606 46.240915 46.375957 46.382729 46.554993 46.684754 46.697560 46.724714 46.747354 46.889896 47.204340 47.219218 47.225332 47.334309 47.341604 47.689559 47.716904 47.866064 47.885222 48.076535 48.102126 48.284458 48.474597 48.479673 48.542715 48.566390 48.628104 48.705006 48.722844 49.067834 49.076552 49.203485 49.450965 49.706057 49.735396 49.739537 50.057126 50.066603 50.366157 50.385272 50.451309 50.471065 50.885112 50.893087 51.103279 51.491778 51.564758 51.881450 51.904967 52.081072 52.084737 52.198456 52.221030 52.454798 52.615662 52.762296 52.773427 53.237608 53.244937 53.283024 53.295253 53.461455 53.531379 53.860707 53.883293 53.978041 53.992904 54.003709 54.139294 54.141586 54.184357 54.187755 54.202696 54.280960 54.316521 54.358557 54.553153 54.730743 54.733990 54.796848 55.050901 55.070144 55.102658 55.114101 55.449343 55.561552 55.576079 55.679350 55.706444 55.873443 55.960579 55.963024 56.016846 56.040942 56.425408 56.511100 56.563963 56.564999 56.599415 56.611803 56.614079 57.091557 57.117488 57.254956 57.269153 57.564848 57.575996 57.703868 57.829878 57.837610 57.914825 57.918819 58.060644 58.124451 58.171908 58.329089 58.374050 58.375098 58.428787 59.289720 59.332201 59.348293 59.398541 59.526299 59.531983 59.589237 59.589701 59.615984 60.063327 60.077727 60.081415 60.096294 60.230965 60.259486 60.521004 60.523118 61.275574 61.302905 61.485031 61.542509 61.555857 61.763416 61.950566 62.073175 62.206750 62.259277 62.265884 62.445595 62.462667 62.541433 62.550218 62.627077 62.632423 63.268742 63.311138 63.533980 63.559372 63.660892 63.974695 64.090090 64.091075 64.212968 64.404909 64.440546 64.886160 64.990948 64.988657 65.023370 65.248623 65.248685 65.481455 65.718613 65.937519 66.614312 66.619917 66.907665 67.271415 67.324367 67.418481 67.431317 67.681228 67.957280 68.364515 68.392510 68.774273 68.777199 68.960760 68.975399 69.053849 69.309015 69.335242 69.442370 69.583462 69.707191 69.846596 69.858493 69.985077 69.987965 70.002822 70.109290 70.519110 71.132226 71.147310 71.587947 71.599006 71.709004 71.709063 72.269127 73.340635 73.367415 73.519073 73.991873 73.991882 73.996362 74.011507 74.763091 76.543700 76.547650 76.932311 77.182921 77.753903 78.132896 78.148528 79.314062 79.401736 79.403856 79.614240 79.622396 79.896314 80.563836 80.584075 80.989646 81.012817 81.197242 83.470656 83.777112 83.792271 84.223269 84.272488 84.277714 84.290098 84.782772 85.147024 85.971008 85.987647 86.029327 86.075078 87.048793 87.268031 87.415931 87.439077 87.629919 87.979259 88.012328 88.275532 90.202012 90.220148 90.220931 90.319204 90.328544 91.626815 105.624920 106.480368 106.578605 106.586144 106.691669 107.354393 107.361356 107.370007 107.379689 107.663456 108.030723 108.195378 108.205344 108.778479 109.186795 109.210492 110.266293 110.290763 118.687148 118.867002 122.630756 123.179121 123.181796 124.849689 124.875584 124.946464 125.910683 126.274368 126.292147 126.890382 126.914715 126.923201 127.827985 128.585647 128.660171 128.702500 129.263617 129.316083 129.345195 129.647885 129.990667 129.986925 130.011731 130.387230 130.395490 130.468453 130.501999 130.874961 131.151415 131.172735 131.199539 131.544586 132.032053 132.037865 132.781429 132.785112 132.931794 133.157206 134.149507 134.155378 134.204128 134.324378 134.339627 134.399227 134.738709 134.780648 134.801429 134.976572 134.991426 135.228167 135.246374 135.252695 135.459952 135.508421 135.961426 135.965047 136.082991 136.121216 136.154343 136.257474 136.260986 136.273163 136.343703 136.355006 136.490269 136.493092 136.638283 136.682439 137.708702 137.735738 137.744837 137.830803 137.856750 138.162279 138.167452 138.359935 138.785734 138.822717 139.159790 139.161960 139.265347 139.444652 139.921444 140.034685 140.045462 140.709377 140.724561 140.846033 141.762879 141.779408 142.207325 142.214914 142.353589 142.617616 142.631853 142.673330 143.906891 143.921815 144.289547 144.307319 144.326750 144.560034 145.296701 145.530271 145.565021 145.725089 145.735954 145.948265 145.975328 145.996505 146.176621 146.295261 146.304437 147.844560 148.228193 148.250145 148.256146 148.704483 148.934511 149.031665 149.040316 150.609972 150.636605 150.724352 150.745394 151.091535 151.388600 151.394271 151.419867 151.407129 151.541619 152.186626 152.413317 152.656303 153.389650 153.409960 153.694439 153.695009 154.008866 154.024348 154.280267 154.334546 154.497425 154.482320 155.265626 155.553123 155.917522 155.928838 156.094580 157.286260 157.306373 157.546463 157.588088 158.382913 158.404283 158.522467 158.670109 158.678263 158.739043 158.752711 159.180760 159.256988 159.636250 159.963832 159.965936 159.999073 160.010081 160.665688 160.691839 160.720238 160.893291 160.897820 161.571047 162.779497 162.808191 162.869840 162.947030 163.253406 163.346988 163.362988 164.603560 164.606241 164.902123 164.915370 166.545784 168.161497 168.213575 168.234808 169.323901 169.347307 169.868004 169.977884 169.987998 172.241781 172.262150 172.596313 172.652528 172.699052 173.361889 175.288744 175.326720 175.798027 175.982364 176.015017 176.337906 176.819774 176.898492 177.160992 177.214294 177.266188 177.280401 179.289658 179.322962 179.852362 181.075659 181.089783 181.092523 181.110257 182.614338 182.634766 183.451257 184.475000 184.944928 186.809494 186.822085 187.123611 187.192516 187.492959 188.336647 190.494416 190.518175 193.250135 193.280020 205.783351 933.221733 933.223078 936.361208 937.378343 937.454904 937.919584 939.471039 939.612449 940.491968 940.532539 943.029663 943.324915 943.382874 944.333742 945.459165 945.504508 946.791752 946.803572 946.873607 947.178015 947.222445 948.495188 948.503860 949.734348 949.949708 950.226231 951.042543 951.067179 951.511421 951.600070 951.608871 954.070005 954.083767 954.194417 955.069137 955.194305 955.302805 955.350197 956.969780 957.798745 963.388824 965.251057 965.316821 970.967197 971.033307 971.073951 972.148890 973.004370 973.012300 975.306831 975.313143 976.520515 977.316728 987.949455 991.199955 991.304387 991.682128 991.781902 994.875212 998.598597 83069.815237 83078.923110 83083.871278 83083.904542 83086.711571 83090.676947 83090.741256 83095.564690 83095.597313 83095.911709 83106.619652 83106.651663 83107.115733 83111.080757 83111.164813 83125.655911 83125.704795 83133.113213</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="1648">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-29.91293261</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-813.972745</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-4</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000071878</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00259494954569</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00198789769360</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="80">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="80">O O O O O O O O S W W O O O O O W O O O O O O O O O O O O O O W W W W O O O O O O W W O O O O O O O S W W O O O O W O O O O O O O O O O O O W W W W O O O O W W</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="80">-1.0369 -1.0306 -0.8010 -0.7937 -1.0381 -1.0248 -1.0505 -1.0040 1.6213 2.8124 2.7774 -1.0369 -1.0306 -0.7937 -1.0381 -1.0505 2.8125 -1.0362 -1.0371 -1.0310 -0.8011 -0.8011 -0.7941 -0.7937 -1.0374 -1.0381 -1.0237 -1.0237 -1.0505 -1.0025 -1.0025 2.8116 2.8124 2.7785 2.7785 -1.0371 -1.0362 -0.7937 -0.7941 -1.0381 -1.0374 2.8125 2.8116 -1.0306 -0.8010 -0.7937 -1.0381 -1.0248 -1.0505 -1.0040 1.6213 2.8124 2.7774 -1.0306 -0.7937 -1.0381 -1.0505 2.8125 -1.0310 -0.8011 -0.8011 -0.7941 -0.7937 -1.0374 -1.0381 -1.0237 -1.0237 -1.0505 -1.0025 -1.0025 2.8116 2.8124 2.7785 2.7785 -0.7937 -0.7941 -1.0381 -1.0374 2.8125 2.8116</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="80">1.9369 1.9387 1.9756 1.9777 1.9502 1.9513 1.9368 1.9100 1.4965 2.0626 2.0646 1.9369 1.9387 1.9777 1.9502 1.9368 2.0626 1.9370 1.9371 1.9387 1.9756 1.9756 1.9777 1.9776 1.9500 1.9502 1.9511 1.9511 1.9370 1.9100 1.9100 2.0629 2.0624 2.0640 2.0640 1.9371 1.9370 1.9776 1.9777 1.9502 1.9500 2.0624 2.0629 1.9387 1.9756 1.9777 1.9502 1.9513 1.9368 1.9100 1.4965 2.0626 2.0646 1.9387 1.9777 1.9502 1.9368 2.0626 1.9387 1.9756 1.9756 1.9777 1.9776 1.9500 1.9502 1.9511 1.9511 1.9370 1.9100 1.9100 2.0629 2.0624 2.0640 2.0640 1.9776 1.9777 1.9502 1.9500 2.0624 2.0629</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="80">5.0721 5.0643 4.7877 4.7774 5.0579 5.0429 5.0875 5.0512 2.3244 6.0691 6.0700 5.0721 5.0643 4.7774 5.0579 5.0875 6.0691 5.0711 5.0720 5.0646 4.7877 4.7877 4.7777 4.7774 5.0574 5.0580 5.0420 5.0420 5.0871 5.0498 5.0498 6.0700 6.0694 6.0692 6.0692 5.0720 5.0711 4.7774 4.7777 5.0580 5.0575 6.0694 6.0700 5.0643 4.7877 4.7774 5.0579 5.0429 5.0875 5.0512 2.3244 6.0691 6.0700 5.0643 4.7774 5.0579 5.0875 6.0691 5.0646 4.7877 4.7877 4.7777 4.7774 5.0574 5.0580 5.0420 5.0420 5.0871 5.0498 5.0498 6.0700 6.0694 6.0692 6.0692 4.7774 4.7777 5.0580 5.0574 6.0694 6.0699</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="80">0.0278 0.0276 0.0378 0.0387 0.0300 0.0307 0.0263 0.0428 0.5578 3.0516 3.0837 0.0278 0.0276 0.0387 0.0300 0.0263 3.0516 0.0281 0.0280 0.0277 0.0377 0.0377 0.0387 0.0387 0.0300 0.0300 0.0306 0.0306 0.0263 0.0427 0.0427 3.0514 3.0515 3.0841 3.0841 0.0280 0.0281 0.0387 0.0387 0.0300 0.0300 3.0515 3.0513 0.0276 0.0378 0.0387 0.0300 0.0307 0.0263 0.0428 0.5578 3.0516 3.0837 0.0276 0.0387 0.0300 0.0263 3.0516 0.0277 0.0377 0.0378 0.0387 0.0387 0.0300 0.0300 0.0306 0.0306 0.0263 0.0427 0.0427 3.0514 3.0515 3.0841 3.0841 0.0387 0.0387 0.0300 0.0300 3.0515 3.0513</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="80">0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0042 0.0042 0.0000 0.0000 0.0000 0.0000 0.0000 0.0042 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0042 0.0042 0.0042 0.0042 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0042 0.0042 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0042 0.0042 0.0000 0.0000 0.0000 0.0000 0.0042 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0042 0.0042 0.0042 0.0042 0.0000 0.0000 0.0000 0.0000 0.0042 0.0042</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="sfo.population">
                  <module cmlx:templateRef="molecular.orbitals">
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
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                                dictRef="cc:mo.energy"
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                                dictRef="cc:mo.energy"
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                               units="nonsi:electronvolt">-4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -9.877 -9.877 -4.271 -4.271 -9.877 -4.271 -4.271 -9.877 -9.877 -9.877</array>
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                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.030</scalar>
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                               units="nonsi:electronvolt">-7.305 -7.305 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 12.892 12.892 -6.225 -6.225 -6.225 -6.225 -6.225 -6.225 -6.225 -6.225</array>
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                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.037</scalar>
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                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-7.305 -7.305 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -6.225 -6.225 -6.225 -6.225 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -4.271 -9.877 -9.877 -9.877 -9.877 12.892 12.892 -9.877 -9.877</array>
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               </module>
            </module>
         </module>
      </module>
   </module>
</module>
