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                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoArea">2231.45237109</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">7345.38798026</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="3831" startLine="3829">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="3835" startLine="3833">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3844" startLine="3837">
                     <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>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        As 2.286486068171169e-21 2.614181693131928e-21 -2.000226960994758 adf.R=1.88</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.486376101978294 -3.668697528969017e-19 -1.541137246661402 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.134935350772488 -1.707854304536116 -1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.459917874900492 -2.773633551323567 -2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.696203201589183 -2.937910124219304 -1.572055133550217 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.08842246417537263 -3.568860802760693 -1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1720781726116649 -5.24921895579686 -2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7431880509891472 -1.287239467594566 -1.541137246661402 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.046512886597118 -1.861006508224577 -1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.631996047512159 -2.475585404473292 -2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.392406403178367 1.82588456981802e-18 -1.572055133550217 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.046512886597118 1.861006508224577 -1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.631996047512159 2.475585404473292 -2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.624831959072908 -1.306703705343232 -3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.980894216386648 -6.180404508124694e-19 -4.966497359708213 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.225811928736181 -1.260185658851629e-18 -6.172177081258265 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.029721438308925 -2.141393143189954 0.0 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.046512886597118 -1.861006508224577 1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.631996047512159 -2.475585404473292 2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.003453695872687 -3.470083594156939 -2.153954414661706 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.180777371996408 -2.926523012051331 -3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.990447108193324 -1.715504716009736 -4.966497359708213 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.61290596936809 -2.793635078815762 -6.172177081258265 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.217538280219359e-21 3.572966976100034e-21 -3.603535587944701 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.990447108193324 1.715504716009736 -4.966497359708213 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.61290596936809 2.793635078815762 -6.172177081258265 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.4440545870765 -1.619819306708098 -3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.548666721151918 -6.080347415853569e-19 -5.697930572280234 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7743333555759588 -1.341184720898193 -5.697930572280234 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.3396401493998635 -3.694512301267579 0.0 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.08842246417537263 -3.568860802760693 1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1720781726116649 -5.24921895579686 2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.624831959072908 1.306703705343232 -3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7743333555759588 1.341184720898193 -5.697930572280234 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7431880509891472 1.287239467594566 -1.541137246661402 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.08842246417537263 3.568860802760693 -1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1720781726116649 5.24921895579686 -2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.180777371996408 2.926523012051331 -3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.696203201589183 2.937910124219303 -1.572055133550217 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.134935350772488 1.707854304536116 -1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.459917874900492 2.773633551323567 -2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.4440545870765 1.619819306708098 -3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.006907391745373 -3.669887190480492e-19 -2.153954414661706 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.369361577708788 1.553119158077625 0.0 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.134935350772488 1.707854304536116 1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.459917874900492 2.773633551323567 2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.003453695872687 3.470083594156939 -2.153954414661706 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.3396401493998635 3.694512301267579 0.0 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.08842246417537263 3.568860802760693 1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1720781726116649 5.24921895579686 2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.029721438308925 2.141393143189954 0.0 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.046512886597118 1.861006508224577 1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.631996047512159 2.475585404473292 2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.369361577708788 -1.553119158077625 0.0 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.134935350772488 -1.707854304536116 1.898562821837761 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.459917874900492 -2.773633551323567 2.227427046366274 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.486376101978294 -3.668697528969017e-19 1.541137246661402 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.217538280219359e-21 3.029742575170092e-21 3.603535587944701 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.990447108193324 1.715504716009736 4.966497359708213 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.61290596936809 2.793635078815762 6.172177081258265 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7431880509891472 1.287239467594566 1.541137246661402 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7431880509891472 -1.287239467594566 1.541137246661402 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.4440545870765 1.619819306708098 3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.696203201589183 2.937910124219303 1.572055133550217 adf.R=1.5</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.980894216386648 -6.180404508124694e-19 4.966497359708213 adf.R=2.49</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.180777371996408 -2.926523012051331 3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.990447108193324 -1.715504716009736 4.966497359708213 adf.R=2.49</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.61290596936809 -2.793635078815762 6.172177081258265 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.4440545870765 -1.619819306708098 3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.548666721151918 -6.080347415853569e-19 5.697930572280234 adf.R=1.5</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.180777371996408 2.926523012051331 3.716524874202013 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.003453695872687 3.470083594156939 2.153954414661706 adf.R=1.5</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        As 2.286486068171169e-21 2.474355382653768e-21 2.000226960994758 adf.R=1.88</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -6.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 2 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 8 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 24 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 35 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 3 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 40 1.0</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 82 2.0</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">         68 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         68 79 1.0</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 74 1.0</scalar>
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               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 77 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">        Core Small</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    A1Fit 15.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    AllPoints Yes</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        GGA PBE</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Symmetry D(3H)</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    SymmetryTolerance 1e-05</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">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
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                     <scalar dataType="xsd:integer" dictRef="a:charge">-6</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
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                  <bond atomRefs2="a60 a59" order="S"/>
                  <bond atomRefs2="a63 a59" order="S"/>
                  <bond atomRefs2="a76 a59" order="S"/>
                  <bond atomRefs2="a79 a59" order="S"/>
                  <bond atomRefs2="a80 a59" order="S"/>
                  <bond atomRefs2="a82 a61" order="S"/>
                  <bond atomRefs2="a82 a62" order="S"/>
                  <bond atomRefs2="a68 a67" order="S"/>
                  <bond atomRefs2="a69 a68" order="S"/>
                  <bond atomRefs2="a77 a68" order="S"/>
                  <bond atomRefs2="a78 a68" order="S"/>
                  <bond atomRefs2="a79 a68" order="S"/>
                  <bond atomRefs2="a73 a72" order="S"/>
                  <bond atomRefs2="a74 a73" order="S"/>
                  <bond atomRefs2="a75 a73" order="S"/>
                  <bond atomRefs2="a76 a73" order="S"/>
                  <bond atomRefs2="a77 a73" order="S"/>
               </bondArray>
               <formula concise="As2O62W18"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">4452.644636</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/2AsO4.54O.18W/c2*2-1(3,4)5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1,2,8,24,35;82,57,58,61,62;4;5;7;10;11;13;14;16;17;19;20;21;23;26;27;28;29;30;32;33;34;37;38;39;41;42;43;44;46;47;48;50;51;53;54;56;60;63;64;65;66;67;69;70;71;72;74;75;76;77;78;79;80;81;3;6;9;12;15;18;22;25;31;36;40;45;49;52;55;59;68;73/E:2*(2,3,4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:2*1.4,2.1,3.1,4.1,5.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:82As4O1WO1OWO1O1WO1OWO1OWO1OWO1OOWO1O1WO1OOOOWO1OOO1WO1OOWO1OOOWO1OOWO1OWO1OWO1O1O1WO1O1O1OOOOOWO1OOOWO1OOOOOOOAs4/rB:s1;;s3;s3;s5;s6;s1;;s9;s9;s11;s12;s9;s14;s15;s9;s17;s18;s6s9;s6;s21;s22;s1;;s25;s3s22;s22s25;s15s22;s6;s30;s31;s12s15;s15s25;s1;;s36;s25s36;s36;s39;s40;s25s40;s3s40;s40;s44;s45;s12s36;s36;s48;s49;s12;s51;s52;s3;s54;s55;;;;s59;;;s45s59;s45s49;s45s55;s18s52;s18;s67;s68;s18s31;s31s55;s31;s72;s73;s55s73;s59s73;s68s73;s52s68;s59s68;s49s59;s49s52;s57s58s61s62;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>5527.76409700</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>149.66648600</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>5763.83478189</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="82">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="82">As O W O O W O O W O O W O O W O O W O O O W O O W O O O O O W O O O O W O O O W O O O O W O O O W O O W O O W O O O W O O O O O O O O W O O O O W O O O O O O O O As</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="82">2.30980230 -1.04587356 2.54784322 -0.78753759 -0.93090078 2.54828043 -0.78695057 -1.04717095 2.54813268 -0.78739991 -0.92994462 2.54813266 -0.78739991 -0.94294782 2.51859023 -0.80028875 -0.92560950 2.54813269 -0.78739991 -0.92119433 -0.94293624 2.51918824 -0.79997860 -1.11158051 2.51918825 -0.79997860 -0.94352363 -0.93012143 -0.92924132 -0.92519192 2.54828041 -0.78695057 -0.94294782 -0.92924132 -1.04717096 2.54828043 -0.78695056 -0.94293623 -0.93090078 2.54784321 -0.78753759 -0.94352363 -0.92191479 -0.92519308 2.54784322 -0.78753759 -0.92119433 -0.92519192 2.54828043 -0.78695056 -0.92560950 2.54813267 -0.78739991 -0.92519308 2.54784322 -0.78753759 -1.04587356 -1.11158052 2.51918824 -0.79997860 -1.04717096 -1.04717096 -0.94352363 -0.93090078 -0.92191479 -0.92994462 -0.94294782 2.51859024 -0.80028875 -0.92119434 -0.93090078 -0.94293624 2.51918825 -0.79997860 -0.94352363 -0.93012143 -0.92924132 -0.94294782 -0.92924132 -0.94293624 -0.92119434 2.30980230</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="82">1.69001096 -0.75328620 1.94169857 -0.69275780 -0.67860529 1.94227115 -0.69283281 -0.75407463 1.94219171 -0.69272035 -0.67809423 1.94219170 -0.69272035 -0.70760562 1.93316597 -0.69503825 -0.67360623 1.94219172 -0.69272035 -0.75650372 -0.70744745 1.93357760 -0.69491938 -0.77194770 1.93357761 -0.69491938 -0.70806051 -0.76551945 -0.76510800 -0.67310974 1.94227113 -0.69283281 -0.70760562 -0.76510800 -0.75407463 1.94227116 -0.69283280 -0.70744745 -0.67860529 1.94169856 -0.69275780 -0.70806051 -0.75714856 -0.67363353 1.94169857 -0.69275779 -0.75650372 -0.67310974 1.94227115 -0.69283280 -0.67360623 1.94219170 -0.69272035 -0.67363353 1.94169857 -0.69275779 -0.75328620 -0.77194770 1.93357760 -0.69491938 -0.75407463 -0.75407463 -0.70806050 -0.67860529 -0.75714856 -0.67809423 -0.70760562 1.93316598 -0.69503825 -0.75650372 -0.67860529 -0.70744745 1.93357761 -0.69491938 -0.70806050 -0.76551945 -0.76510800 -0.70760562 -0.76510800 -0.70744745 -0.75650372 1.69001096</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="82">1.67277003 -0.79218685 2.04801629 -0.66542485 -0.76555453 2.04872693 -0.66679397 -0.78465962 2.04987757 -0.66457376 -0.77438349 2.04987755 -0.66457376 -0.77523805 2.02800371 -0.66011997 -0.73559585 2.04987757 -0.66457376 -0.78048755 -0.77577297 2.03298498 -0.66155037 -0.81300002 2.03298499 -0.66155037 -0.77653356 -0.80071311 -0.79929122 -0.73544221 2.04872691 -0.66679397 -0.77523805 -0.79929121 -0.78465962 2.04872694 -0.66679396 -0.77577297 -0.76555453 2.04801628 -0.66542485 -0.77653356 -0.78047484 -0.73630803 2.04801629 -0.66542485 -0.78048756 -0.73544221 2.04872693 -0.66679396 -0.73559586 2.04987756 -0.66457376 -0.73630802 2.04801629 -0.66542485 -0.79218685 -0.81300002 2.03298498 -0.66155037 -0.78465962 -0.78465962 -0.77653356 -0.76555453 -0.78047485 -0.77438349 -0.77523805 2.02800372 -0.66011997 -0.78048756 -0.76555453 -0.77577297 2.03298499 -0.66155037 -0.77653355 -0.80071311 -0.79929122 -0.77523804 -0.79929122 -0.77577297 -0.78048756 1.67277003</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-641.177101</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">643.731511</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-61.437816</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-617.703891</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-35.585435</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-712.172729</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="82">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="82">As O W O O W O O W O O W O O W O O W O O O W O O W O O O O O W O O O O W O O O W O O O O W O O O W O O W O O W O O O W O O O O O O O O W O O O O W O O O O O O O O As</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="82">2.40921710 -1.03760129 2.58154376 -0.77112480 -0.95937373 2.58154376 -0.77112480 -1.03760129 2.58154376 -0.77112480 -0.95937373 2.58154376 -0.77112480 -0.95366084 2.55162803 -0.77887599 -0.96190997 2.58154376 -0.77112480 -0.98379442 -0.95366084 2.55162803 -0.77887599 -1.14212696 2.55162803 -0.77887599 -0.95366084 -0.96595225 -0.96595225 -0.96190997 2.58154376 -0.77112480 -0.95366084 -0.96595225 -1.03760129 2.58154376 -0.77112480 -0.95366084 -0.95937373 2.58154376 -0.77112480 -0.95366084 -0.98379442 -0.96190997 2.58154376 -0.77112480 -0.98379442 -0.96190997 2.58154376 -0.77112480 -0.96190997 2.58154376 -0.77112480 -0.96190997 2.58154376 -0.77112480 -1.03760129 -1.14212696 2.55162803 -0.77887599 -1.03760129 -1.03760129 -0.95366084 -0.95937373 -0.98379442 -0.95937373 -0.95366084 2.55162803 -0.77887599 -0.98379442 -0.95937373 -0.95366084 2.55162803 -0.77887599 -0.95366084 -0.96595225 -0.96595225 -0.95366084 -0.96595225 -0.95366084 -0.98379442 2.40921710</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">75.65531574 -0.00000000 0.00000000 75.65534812 -0.00000000 -151.31066386</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="2090">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 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 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EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2 EEE1:2</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-26.17185279</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-712.172729</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-6</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="orbital.energies">
                  <list cmlx:templateRef="energies">
                     <array dataType="xsd:string" dictRef="cc:irrep" size="1394">AA1 EE1 AAA2 EEE1 EE1 AA2 EEE1 AAA1 AAA2 AA1 EEE1 EE1 AA1 EE1 AAA2 EEE1 EE1 EEE1 AA2 AAA1 AA1 AAA2 AA1 AAA2 EE1 EEE1 EE1 AA1 EEE1 EE1 AA2 EE1 AAA2 EEE1 EEE1 AAA1 EE1 EEE1 AA2 AAA1 EE1 EEE1 AA1 AAA2 AA2 AAA1 EE1 EEE1 AA1 AAA2 EE1 EEE1 EE1 EEE1 AA1 AAA2 EE1 EEE1 EE1 EEE1 AA2 AA1 AAA1 EE1 EE1 AA2 AAA2 EEE1 AA1 EE1 AAA2 EEE1 EE1 EEE1 AAA1 AA2 EEE1 AAA1 AA1 AAA2 EE1 EEE1 AA1 EE1 AAA2 EEE1 EE1 EEE1 AA2 AAA1 EE1 EEE1 AA2 AAA1 AA1 EE1 AAA2 EE1 EEE1 AA2 EEE1 AA1 AAA1 AAA2 EE1 EEE1 EE1 EEE1 AA2 AAA1 AAA2 AA1 EEE1 EE1 AAA2 AA1 EEE1 EE1 EE1 EEE1 AA2 AAA1 EEE1 EE1 AAA1 AA2 AAA2 AA1 EEE1 EE1 EEE1 EE1 AAA1 AA2 AAA2 AA1 EEE1 EE1 AA1 AAA2 AA1 AAA2 EE1 AA1 EEE1 AAA2 EE1 AA1 EEE1 AAA2 EE1 AA2 EEE1 EE1 AA1 EEE1 EE1 AAA1 EEE1 EE1 AAA2 EE1 EEE1 AA1 AA2 AAA2 AAA1 AA2 EE1 EEE1 EEE1 AA1 AAA2 EE1 AA1 EE1 EEE1 AA1 AAA2 EE1 AA1 AAA2 AAA1 EEE1 AA2 AA1 AAA1 AAA2 EEE1 EE1 AAA2 EEE1 AA2 EE1 EE1 EEE1 AA1 EEE1 EE1 AA1 AAA2 EE1 EE1 AAA1 EE1 EEE1 AA1 EEE1 AA1 AAA2 EEE1 EE1 AAA2 AA1 EE1 AA2 AAA2 EE1 EEE1 AA2 AA1 EEE1 EE1 AAA1 EEE1 EE1 EEE1 AAA2 AAA1 EE1 EEE1 AA1 AA2 EE1 AAA2 EEE1 AA2 EEE1 EE1 EE1 AAA2 AA2 EEE1 EE1 AA1 EEE1 EE1 AAA1 AAA2 AAA1 AA2 EEE1 EEE1 AAA1 AAA1 AA1 AA2 EE1 EE1 EEE1 AA1 EEE1 AA1 AAA2 EEE1 EE1 AA2 AAA2 AA1 AAA2 AA1 AAA1 EEE1 EE1 AAA1 EE1 EE1 EEE1 AAA2 EE1 EE1 AA1 AAA2 EE1 EEE1 AA1 EEE1 EE1 AA2 AAA2 EEE1 EE1 AAA1 AAA2 EEE1 AA2 EE1 AA2 AA1 EE1 EEE1 EEE1 AA1 EE1 AAA1 EEE1 EE1 EEE1 AA2 AAA2 AAA1 EEE1 EEE1 AAA1 AA2 AAA2 EE1 EEE1 AA2 EE1 AA1 EEE1 EE1 AA1 EE1 AAA2 AA1 EEE1 AAA1 EE1 AAA2 EEE1 EE1 AA1 EEE1 AAA2 EE1 AA2 AA1 EE1 AA1 AAA2 AA1 EE1 AAA2 AA1 AAA2 EE1 EEE1 AA1 EE1 AA2 AAA2 EEE1 EE1 AA1 EEE1 EE1 AA1 EEE1 AAA2 EE1 AA2 EE1 EEE1 AAA1 EEE1 EE1 AA1 EEE1 AAA1 AAA2 EE1 EEE1 AA2 EE1 AAA1 EEE1 AAA2 AA1 EE1 AA1 AAA2 EEE1 AA1 AA2 EE1 AAA2 EE1 AA1 EEE1 AA2 AAA2 EE1 EEE1 AAA1 EE1 EEE1 AAA1 AA1 AA1 EE1 EEE1 EE1 EE1 AAA2 AA2 AA1 EE1 EEE1 AAA2 EE1 AA2 EEE1 AAA2 EEE1 EE1 AA1 AA2 AA1 EEE1 EEE1 EE1 AA1 AAA1 AAA1 EEE1 EE1 AAA2 EE1 AAA1 AA1 EEE1 AAA2 AA1 EE1 AAA2 AA2 EE1 AAA2 EEE1 EE1 EEE1 AA2 EEE1 EE1 EE1 AA1 EE1 AAA1 AAA2 AA2 EEE1 EE1 EEE1 AA1 EEE1 AA1 AA2 AAA2 EEE1 AAA1 EE1 EE1 AA2 EEE1 AAA2 AAA1 EE1 AAA2 EEE1 EEE1 AA1 AAA1 EE1 EEE1 EE1 AA2 EEE1 EE1 AAA1 AAA1 EE1 EEE1 EEE1 AA1 AA2 EEE1 AAA2 AA1 AAA2 AAA1 EEE1 EE1 EE1 AA1 EEE1 AA2 AAA2 EEE1 AA1 AA1 EE1 AAA2 EE1 EE1 EEE1 AAA1 AA1 AAA2 EEE1 EE1 AA2 AAA2 AA1 EE1 EE1 EEE1 AAA2 AA1 AA1 EE1 AAA2 EE1 EEE1 AA1 EEE1 EE1 AAA2 AA1 EEE1 AAA2 AAA1 AA2 EE1 AA2 EEE1 AAA2 EEE1 EE1 AA1 EE1 EEE1 AAA2 EE1 AAA1 AA1 AAA2 EEE1 AA2 EE1 EEE1 AA1 EE1 AA1 EEE1 AAA2 AAA1 EEE1 EE1 EE1 EEE1 AAA2 AA2 AA1 EE1 EEE1 AAA1 EE1 AA1 EE1 EEE1 AA2 EEE1 AA1 EE1 AAA1 AA2 EE1 AAA2 EE1 EEE1 AAA2 EE1 AAA1 AA2 AAA2 EEE1 AA2 EE1 EE1 AA1 EEE1 EEE1 EEE1 AA1 AAA1 EE1 EE1 EEE1 AA2 AAA2 EEE1 EE1 AAA2 AA1 AA2 AA1 EEE1 EE1 AAA1 EE1 EEE1 AAA2 AA2 EE1 EEE1 EE1 AAA2 AAA1 EEE1 AA1 AA1 EE1 AAA2 EEE1 AAA1 EEE1 EE1 AAA2 EE1 AA2 EEE1 EE1 AAA1 AA1 AA1 AA2 AAA2 EEE1 EE1 EE1 EEE1 AAA2 EEE1 EE1 AA2 AA1 EE1 EEE1 AAA1 AAA2 AAA1 EEE1 EE1 AA1 EEE1 AA2 EEE1 EE1 EEE1 AA1 AAA1 AAA2 EEE1 AA2 EE1 AAA1 EE1 EEE1 AA2 EE1 AA1 AAA1 AAA2 AA1 EEE1 AA2 AA1 AAA1 EE1 AAA2 EEE1 EE1 EE1 AAA2 AA2 EEE1 EE1 EE1 AAA1 EEE1 AA1 EEE1 AA2 EE1 EEE1 EE1 EEE1 AA1 EE1 EEE1 EE1 EEE1 AA1 AAA2 AAA1 AAA1 AAA2 AA2 EEE1 EE1 AAA1 EE1 EEE1 AA1 AA2 EE1 AAA2 EEE1 AA2 EE1 EEE1 AAA2 EE1 AAA1 AA2 EE1 AA1 AAA2 EEE1 EE1 AA1 EEE1 AAA1 AAA2 EEE1 AA1 AA2 EE1 AAA2 EE1 AA1 EEE1 EE1 AAA2 EEE1 AA1 AA2 AAA1 EE1 EEE1 EE1 AA1 AA1 EEE1 EE1 AAA2 AA2 EEE1 AAA1 EE1 EEE1 EEE1 EE1 AAA2 EEE1 EE1 AA2 AA1 AAA1 EEE1 AA2 EE1 AA2 EE1 AAA2 AAA1 EEE1 AA1 EEE1 EE1 AAA2 EE1 AAA1 EEE1 AAA2 EE1 EEE1 AA1 EE1 EEE1 AA2 AAA2 AA1 EEE1 EE1 EEE1 AA1 EE1 AAA1 AA2 AAA2 EEE1 EEE1 EE1 AAA2 AA1 EE1 AAA2 EEE1 EE1 AA1 AAA1 EEE1 AA2 AAA2 AA1 AAA1 EEE1 EE1 EEE1 AAA2 AA1 AAA2 AA1 AAA1 EE1 EE1 AA2 AA2 AAA1 AAA2 EE1 EEE1 AA2 AA1 EE1 EEE1 EE1 EEE1 EEE1 AAA1 EE1 AA2 AAA2 EEE1 EE1 AA1 EE1 AA1 AA1 EEE1 AAA2 EE1 AAA2 EEE1 EE1 AA2 AA1 EE1 EEE1 AAA1 EE1 EEE1 AAA1 AAA2 EEE1 EE1 AA2 AA1 AAA2 EEE1 AA1 EE1 EEE1 AA2 EE1 AAA1 AA2 EEE1 EE1 AA1 AAA1 AAA2 EEE1 AAA1 EE1 EEE1 AAA1 EE1 EE1 EEE1 AAA2 EE1 AA1 EEE1 AA2 AAA2 AA2 EE1 EEE1 AA1 AAA2 AA2 EEE1 AAA1 EE1 EE1 EEE1 AAA2 AAA1 EEE1 EEE1 EE1 EEE1 EE1 AA1 EE1 AA2 AAA1 EEE1 AA1 AAA2 AAA1 AAA2 EEE1 AA1 EEE1 EE1 EE1 EEE1 EE1 AA2 EEE1 AAA2 EEE1 EE1 AA1 EE1 AAA1 AA2 AA1 EE1 EEE1 AAA2 EE1 AAA2 EEE1 AA2 AA1 EE1 EEE1 AAA1 EE1 EEE1 AAA2 AA2 AA1 AAA1 EE1 EEE1 AA1 EE1 AAA2 EEE1 AA1 AAA2 EEE1 AA2 EE1 EE1 AAA2 EE1 AA1 EEE1 AA2 AAA1 EE1 AA1 EEE1 EE1 EEE1 EEE1 AAA1 AAA2 EE1 AA2 EE1 AAA1 EEE1 EE1 AA1 AAA2 EEE1 EE1 AAA2 AA1 EEE1 AAA1 AA2 EEE1 AAA2 EEE1 AAA2 AA1 AA1 EE1 EE1 EEE1 AAA2 AA1 AAA2 EEE1 AA2 EE1 AAA2 EE1 AAA1 AA1 EEE1 AA1 EEE1 AAA1 EE1 EE1 AA2 EEE1 AAA2 EEE1 EE1 AAA1 EE1 EEE1 AA1 EEE1 AA2 AAA2 AA1 AAA1 EEE1 AA2 AAA2 EEE1 EE1 EE1 EE1 AAA1 AAA2 EEE1 AA2 EEE1 AA1 EEE1 EE1 AAA2 AA1 AAA1 EEE1 EE1 AAA2 AA1 EE1 EEE1 AA1 EE1 AAA2 EEE1 AA2 AAA1 AA2 EE1 EEE1 EE1 AAA2 EEE1 EE1 AA1 AA2 EE1 AA1 EEE1 AA1 EE1 AAA2 AAA2 AAA1 EE1 EEE1 EEE1 EE1 AA1 EE1 EEE1 AA1 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227 216 89 228 229 217 130 230 137 218 94 131 95 231 219 138 132 96 220 90 232 233 221 133 91 222 223 234 224 235 139 236 97 92 225 140 134 93 135 226 141 227 237 238 228 239 98 229 136 230 240 142 241 94 99 143 242 231 137 243 138 232 100 144 244 233 95 245 234 139 101 145 96 246 235 146 247 140 236 147 141 237 102 248 249 142 250 148 238 103 97 251 149 239 252 240 241 98 143 253 104 254 99 242 255 150 144 243 256 145 151 244 100 105 245 146 246 147 152 153 257 258 247 148 154 149 248 106 259 150 260 101 155 249 156 250 102 261 262 107 251 151 252 263 103 264 253 157 254 108 152 158 104 255 109 153 256 265 266 267 105 154 257 110 258 159 259 268 155 160 106 260 269 156 161 270 261 162 271 157 262 111 107 112 272 263 273 158 264 274 163 113 275 164 265 165 276 159 160 108 277 266 267 278 166 279 268 167 168 280 169 161 281 162 269 282 114 163 170 283 270 109 164 115 271 171 284 165 272 273 285 116 286 172 287 110 166 274 173 288 275 174 289 111 276 167 290 291 117 292 175 277 118 278 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36.1071 36.1616 36.2780 36.3040 36.3338 36.3640 36.4167 36.4714 36.4855 36.6893 36.6953 36.7357 36.7526 36.7582 36.8875 36.9440 37.0885 37.1073 37.2136 37.3642 37.3814 37.3982 37.4852 37.6598 37.6620 37.9606 38.2707 38.4079 38.4217 38.5068 38.5765 38.6541 38.6791 38.9992 39.3060 39.4430 39.6146 39.6401 39.8157 39.8349 39.8536 40.0157 40.1725 40.2115 40.4101 40.6241 40.7123 40.9578 40.9617 41.0598 41.3273 41.6506 41.6895 41.8448 41.9160 41.9412 42.2114 42.3513 42.3544 42.4945 42.5920 42.7789 43.0373 43.2971 43.3379 43.4134 43.4321 43.4971 43.5679 43.5846 43.8234 43.8502 43.9388 43.9391 44.1715 44.2642 44.3183 44.3807 44.4446 44.6450 44.8223 44.8692 44.9307 45.0047 45.0759 45.2626 45.3778 45.5236 45.9345 45.9478 45.9740 46.0518 46.0987 46.1231 46.3616 46.5146 46.5661 46.5960 46.7303 46.8644 46.8817 47.2289 47.4234 47.5014 47.6116 47.7304 48.1303 48.1503 48.3615 48.7444 48.9306 48.9543 49.0684 49.3281 49.5209 49.7804 49.8715 49.9151 49.9236 50.0814 50.5020 50.5455 50.6392 50.7344 50.9191 51.0380 51.1132 51.3398 51.3873 51.4032 51.4823 51.6601 51.8304 51.9289 51.9559 52.2884 52.4096 52.7459 52.8779 53.0137 53.0422 53.4711 53.6639 53.6756 53.7315 53.8670 53.9399 54.1657 54.1941 54.2904 54.5633 54.7729 54.8534 54.9227 55.0001 55.1480 55.2327 55.2476 55.6100 56.1643 56.3487 56.4529 56.7586 56.8494 56.9521 57.1402 57.1880 57.2015 57.2740 57.3126 57.5148 57.6292 57.6509 57.7700 57.7711 57.8142 58.0239 58.0239 58.1532 58.1781 58.3565 58.8656 58.8673 58.9056 59.1758 59.2752 59.4674 59.5435 59.6768 60.2244 60.2397 60.4391 60.5952 61.0418 61.1890 61.3698 61.6183 61.7729 61.8821 61.9329 62.1001 62.4833 62.8896 62.9134 62.9251 63.0701 63.0773 63.2632 63.3056 63.4270 63.5829 63.5925 63.6808 63.7560 63.8098 63.8518 63.9953 64.2014 64.3130 64.5726 64.5823 64.6834 64.7833 64.9625 65.1019 65.1674 65.3103 65.4915 65.5999 65.6006 65.8895 66.0077 66.1107 66.2268 66.2541 66.2999 66.4185 66.5551 66.8925 66.9488 67.4405 67.7481 67.9874 68.0371 68.3628 68.4608 68.4997 68.6787 68.6794 68.7668 68.8438 68.8492 69.0141 69.0561 69.1211 69.1646 69.1967 69.1971 69.2778 69.3635 69.4046 69.4099 69.5016 69.5490 69.5585 69.5651 69.6220 69.6863 69.8080 69.8407 70.0575 70.0776 70.1025 70.3540 70.6787 75.1027 75.1582 76.7520 77.1029 78.5711 78.7866 78.8964 79.0434 79.1269 79.7924 80.1676 80.3773 80.7588 80.8685 81.0215 81.0816 81.2348 81.7824 81.8781 81.9902 82.0051 82.1567 82.2029 82.3474 82.5598 82.5790 82.6111 82.7622 82.8842 82.9429 83.1519 83.1552 83.1590 83.3149 83.3847 83.3924 83.6046 83.8151 83.9163 83.9574 84.1281 84.3066 84.6296 84.6637 84.9951 85.0069 85.0887 85.4300 85.7699 86.0795 86.2072 86.6832 87.1456 87.1948 87.5123 87.6316 88.1268 88.8556 89.5415 89.5648 89.8319 90.7051 90.8919 91.0318 91.3099 91.5650 91.8790 92.0334 92.4195 93.1938 93.2436 93.3154 94.8654 95.4232 104.1120 104.2972 104.6388 104.8022 105.0006 105.0198 105.2294 105.7227 105.8267 106.2780 106.7833 107.9139 121.6626 121.7001 122.4984 123.0685 123.2130 123.8414 124.0778 124.4023 124.9408 125.5399 125.5550 125.9312 126.1336 126.2106 126.9948 127.1549 127.4394 127.7064 128.3080 129.0159 129.1540 129.2428 129.2940 129.4631 130.5520 130.8936 130.9701 131.3087 131.3574 131.8437 132.3072 132.8545 133.1727 133.1752 133.2551 133.3445 133.6875 134.0790 134.3178 135.0076 135.1776 135.3613 135.5391 136.4319 136.6207 136.7248 138.2133 138.2356 138.4231 138.6846 138.7473 138.9218 139.0007 139.1751 139.3237 139.5256 139.5789 139.9378 140.2699 140.2860 140.6347 141.0187 141.0424 141.2379 141.2940 141.5709 141.7142 142.0897 142.3139 142.3668 143.5387 144.0698 144.2223 144.3506 144.5591 144.9071 145.4295 145.5167 145.5928 146.0887 147.4675 147.5676 147.8078 147.9518 148.2800 148.8061 149.2261 149.6051 150.2082 150.6185 150.7598 151.1875 151.3561 152.0906 152.6248 152.8365 152.8980 152.9987 154.1296 154.2916 154.7891 154.8461 155.2492 155.5439 155.5811 156.0249 156.0473 156.1072 156.5606 157.6344 157.8193 157.9769 158.3589 158.3731 158.3749 158.8456 158.9123 159.2294 160.1276 160.1644 160.2601 160.2830 163.4721 163.6655 165.9961 166.2895 166.4358 166.5216 166.9437 167.0274 167.1142 168.5185 169.3776 169.9090 171.1485 172.0692 172.1386 172.5001 173.1778 173.9765 174.2201 175.2083 175.5578 176.6147 178.6332 179.6045 180.2371 181.3702 181.4950 181.6717 181.9838 182.3586 186.3101 186.7889 188.0369 188.4248 189.1103 195.0848 196.3153 202.9547 444.6163 447.8996 448.0240 448.9850 448.9895 451.3423 473.1364 473.2385 473.2518 473.2585 473.5683 473.5742 473.6237 473.6267 473.6589 473.7411 474.0988 474.1203 475.9383 475.9647 476.0275 476.2150 476.2220 476.2542 476.3140 476.4336 476.4342 476.4536 476.6068 476.6690 476.7380 476.7493 476.7500 476.8170 476.8385 476.8545 477.0076 477.0830 477.2699 477.3998 477.5548 477.6290 478.0199 478.0793 478.5441 478.7589 478.7625 478.8446 479.0714 479.2293 479.6530 479.7931 480.0798 480.4994 483.2897 483.3978 483.5855 483.5995 483.7399 483.8816 483.9469 484.0911 484.5139 484.7059 484.8960 484.9545 485.0072 485.0123 485.1855 485.2255 485.4288 485.5244 485.7014 485.8632 486.0205 486.1832 486.1902 486.4075 487.6699 487.8039 487.9755 488.1557 488.2810 488.3455 488.4450 488.5132 488.5823 488.7169 488.9641 489.1510 926.3742 926.4984 931.3245 931.3513 933.5304 934.5552 935.9041 940.5474 940.6753 943.8128 944.5499 944.7017 945.6037 945.8137 946.5369 947.2275 948.4208 948.7665 951.3832 951.7192 951.9893 952.2909 953.1016 953.9075 955.8698 957.9012 958.3802 959.2837 960.0144 960.8961 962.6179 963.3947 963.7728 964.9665 969.6170 972.6415 977.0852 979.4068 987.8941 990.5902 990.7665 990.8867 82902.1092 82912.4623 82919.0540 82921.2522 82927.4029 82933.0254 82938.7614 82943.9288 82944.1465 82949.5809 82964.5502 82970.0916</array>
                  </list>
               </module>
               <module cmlx:templateRef="sfo.population">
                  <module cmlx:templateRef="molecular.orbitals">
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.535</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">21</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">AA1</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">41.52 21.55 15.56 7.01 3.86 3.29 1.46 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S P:z S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -5.206 -24.020 -5.688 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 1.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">18 3 21 11 1 12 69 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O As O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">21</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">AAA2</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">37.75 23.05 17.02 7.61 3.38 2.54 1.32 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S S S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -5.688 -5.206 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">18 3 21 11 12 69 1 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O W As O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">36</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">EE1:1</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">43.73 11.79 9.55 8.33 6.73 4.97 3.50 3.32 3.17 2.81 -1.76</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S S S S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.688 -5.206 2.716</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">3 15 5 11 13 23 4 16 65 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O O O O W As As</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">36</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">EE1:2</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">43.73 11.79 9.55 8.33 6.73 4.97 3.50 3.32 3.17 2.81 -1.76</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S S S S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.688 -5.206 2.716</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">7 15 5 16 23 13 6 11 66 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O O O O W As As</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">22</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">AA1</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">24.76 22.80 19.40 14.86 5.38 4.16 2.14 1.39 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S S D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.498 -24.020 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">5 11 15 13 21 18 65 4 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">36</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">EEE1:1</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">54.15 15.25 10.17 5.52 4.29 2.84 1.76 1.67 -1.53</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S S S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -5.688 -24.020 -5.206 2.716</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">7 15 5 16 6 66 11 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O O W O As As</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">36</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">EEE1:2</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">54.15 15.25 10.17 5.52 4.29 2.84 1.76 1.67 -1.53</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S S S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -5.688 -24.020 -5.206 2.716</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">3 15 5 11 4 65 16 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O O W O As As</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">22</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">AAA2</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">31.35 27.76 19.77 7.90 4.23 2.68 1.41 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S S D:xy S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.498 -24.020 -4.498</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">5 15 11 21 18 65 4 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.045</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">37</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">EE1:1</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">29.22 15.53 11.62 9.14 8.66 8.50 7.92 2.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.498</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">11 13 3 16 5 21 23 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
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                               size="21"
                               units="nonsi:electronvolt">-4.498 -5.206 -5.688 -5.688 -5.688 1.231 -4.498 -9.089 -9.089 -9.089 6.242 1.231 1.231 -9.089 -4.498 -9.089 -0.500 -9.089 29.005 -4.498 -4.498</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 1.00 2.00 2.00 2.00 0.00 0.80 1.33 1.33 1.33 0.00 0.00 0.00 1.33 0.80 1.33 0.00 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">65 1 66 71 65 65 66 15 4 4 1 71 66 15 69 7 66 7 3 65 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W As W W W W W O O O As W W O W O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">87</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">EEE1:2</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">19.93 17.72 16.84 5.57 4.98 4.20 3.42 2.84 2.78 2.64 2.42 1.58 1.56 1.56 1.50 1.40 -1.37 1.23 1.19 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 2 2 2 3 1 1 1 1 2 3 3 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 P:x S S S S D:z2 P:x P:x P:x D:x2-y2 S S P:x D:xz P:x P:x P:z D:x2-y2 D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.498 -5.206 -5.688 -5.688 -5.688 1.231 -4.498 -9.089 -9.089 -9.089 6.242 1.231 1.231 -9.089 -4.498 -9.089 -0.500 -9.089 29.005 -4.498 -4.498</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 1.00 2.00 2.00 2.00 0.00 0.80 1.33 1.33 1.33 0.00 0.00 0.00 1.33 0.80 1.33 0.00 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">66 1 65 69 66 66 65 15 6 6 1 69 65 15 71 3 65 3 7 66 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W As W W W W W O O O As W W O W O W O O W W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
