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        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
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        xmlns:xi="http://www.w3.org/2001/XInclude"
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        convention="convention:compchem"
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   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
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            <parameterList>
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               </parameter>
               <parameter dictRef="cc:programVersion">
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               </parameter>
               <parameter dictRef="cc:programSubversion">
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               <parameter dictRef="cc:compileDate">
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               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBE0                                    == Not Default ==</scalar>
               </parameter>
            </parameterList>
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                        id="a44"
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                        z3="15.390365"/>
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                        id="a45"
                        x3="-5.856512"
                        y3="-2.177165"
                        z3="14.398302"/>
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                        id="a46"
                        x3="-2.397139"
                        y3="-2.945615"
                        z3="15.589899"/>
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                        id="a47"
                        x3="-4.301690"
                        y3="-4.290509"
                        z3="14.452737"/>
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                        id="a48"
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                        id="a53"
                        x3="1.525887"
                        y3="-1.971887"
                        z3="10.571788"/>
                  <atom elementType="Li"
                        id="a54"
                        x3="-2.500614"
                        y3="-4.943154"
                        z3="14.810286"/>
                  <atom elementType="Li"
                        id="a55"
                        x3="-1.163016"
                        y3="-4.155160"
                        z3="9.141516"/>
                  <atom elementType="Li"
                        id="a56"
                        x3="-4.603976"
                        y3="0.611622"
                        z3="9.043896"/>
               </atomArray>
               <bondArray>
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                  <bond atomRefs2="a19 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a29 a1" order="S"/>
                  <bond atomRefs2="a30 a1" order="S"/>
                  <bond atomRefs2="a9 a2" order="S"/>
                  <bond atomRefs2="a14 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a53 a2" order="S"/>
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                  <bond atomRefs2="a13 a3" order="S"/>
                  <bond atomRefs2="a14 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a37 a3" order="S"/>
                  <bond atomRefs2="a8 a4" order="S"/>
                  <bond atomRefs2="a11 a4" order="S"/>
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                  <bond atomRefs2="a15 a4" order="S"/>
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                  <bond atomRefs2="a7 a5" order="S"/>
                  <bond atomRefs2="a8 a5" order="S"/>
                  <bond atomRefs2="a9 a5" order="S"/>
                  <bond atomRefs2="a10 a5" order="S"/>
                  <bond atomRefs2="a20 a5" order="S"/>
                  <bond atomRefs2="a25 a6" order="S"/>
                  <bond atomRefs2="a56 a7" order="S"/>
                  <bond atomRefs2="a56 a8" order="S"/>
                  <bond atomRefs2="a55 a9" order="S"/>
                  <bond atomRefs2="a21 a12" order="S"/>
                  <bond atomRefs2="a56 a12" order="S"/>
                  <bond atomRefs2="a21 a13" order="S"/>
                  <bond atomRefs2="a56 a13" order="S"/>
                  <bond atomRefs2="a24 a15" order="S"/>
                  <bond atomRefs2="a22 a16" order="S"/>
                  <bond atomRefs2="a55 a16" order="S"/>
                  <bond atomRefs2="a55 a20" order="S"/>
                  <bond atomRefs2="a35 a21" order="S"/>
                  <bond atomRefs2="a36 a21" order="S"/>
                  <bond atomRefs2="a39 a21" order="S"/>
                  <bond atomRefs2="a29 a22" order="S"/>
                  <bond atomRefs2="a33 a22" order="S"/>
                  <bond atomRefs2="a34 a22" order="S"/>
                  <bond atomRefs2="a40 a22" order="S"/>
                  <bond atomRefs2="a30 a23" order="S"/>
                  <bond atomRefs2="a38 a23" order="S"/>
                  <bond atomRefs2="a40 a23" order="S"/>
                  <bond atomRefs2="a41 a23" order="S"/>
                  <bond atomRefs2="a47 a23" order="S"/>
                  <bond atomRefs2="a31 a24" order="S"/>
                  <bond atomRefs2="a36 a24" order="S"/>
                  <bond atomRefs2="a38 a24" order="S"/>
                  <bond atomRefs2="a45 a24" order="S"/>
                  <bond atomRefs2="a26 a25" order="S"/>
                  <bond atomRefs2="a27 a25" order="S"/>
                  <bond atomRefs2="a28 a25" order="S"/>
                  <bond atomRefs2="a55 a29" order="S"/>
                  <bond atomRefs2="a43 a32" order="S"/>
                  <bond atomRefs2="a43 a33" order="S"/>
                  <bond atomRefs2="a54 a33" order="S"/>
                  <bond atomRefs2="a42 a35" order="S"/>
                  <bond atomRefs2="a42 a37" order="S"/>
                  <bond atomRefs2="a54 a40" order="S"/>
                  <bond atomRefs2="a49 a42" order="S"/>
                  <bond atomRefs2="a50 a42" order="S"/>
                  <bond atomRefs2="a51 a42" order="S"/>
                  <bond atomRefs2="a46 a43" order="S"/>
                  <bond atomRefs2="a48 a43" order="S"/>
                  <bond atomRefs2="a49 a43" order="S"/>
                  <bond atomRefs2="a45 a44" order="S"/>
                  <bond atomRefs2="a46 a44" order="S"/>
                  <bond atomRefs2="a47 a44" order="S"/>
                  <bond atomRefs2="a50 a44" order="S"/>
                  <bond atomRefs2="a52 a44" order="S"/>
                  <bond atomRefs2="a54 a46" order="S"/>
                  <bond atomRefs2="a54 a47" order="S"/>
               </bondArray>
               <formula concise="Li3O40PW12"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">2899.229517</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/3Li.O4P.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rLi3O36W12.O4P/c4-40-16-42(6)17-41(5)19-43(7,18-40)30-2-31(43)47(11,23-41)27-49(13)25-45(9,21-41)29(42)1-28(42)44(8,20-40)24-48(12)26-46(30,10,22-40)34(2)51(15,35(2)47)38(48)3(39(49)51)36(48)50(14,32(1)44,33(1)45)37(3)49;1-5(2,3)4">
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               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters2">
                  <list cmlx:templateRef="scf"/>
                  <list cmlx:templateRef="spin">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
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                     <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>
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                     <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">1685.73049859</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">4694.15536032</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="3985" startLine="3984"/>
                  <list cmlx:templateRef="spin" endLine="3989" startLine="3987">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="3998" startLine="3991">
                     <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">
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               <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">        W -4.105811496254197 -4.928402263616767 9.587186133854793 adf.R=1.992</scalar>
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               <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 None</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 PBE0</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">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">0</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">
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                        y3="-0.415276"
                        z3="12.719395"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-2.151812"
                        y3="0.831452"
                        z3="12.681706"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-6.246593"
                        y3="-4.080464"
                        z3="12.687671"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-6.431334"
                        y3="2.191927"
                        z3="11.876244"/>
                  <atom elementType="O"
                        id="a40"
                        x3="-3.002886"
                        y3="-5.931287"
                        z3="12.912714"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-5.642081"
                        y3="-6.646504"
                        z3="13.649286"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-2.994270"
                        y3="0.412056"
                        z3="14.359215"/>
                  <atom elementType="W"
                        id="a43"
                        x3="-0.980664"
                        y3="-2.350583"
                        z3="14.420485"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-4.298755"
                        y3="-2.575960"
                        z3="15.390365"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-5.856512"
                        y3="-2.177165"
                        z3="14.398302"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-2.397139"
                        y3="-2.945615"
                        z3="15.589899"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-4.301690"
                        y3="-4.290509"
                        z3="14.452737"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.385371"
                        y3="-2.645459"
                        z3="15.357475"/>
                  <atom elementType="O"
                        id="a49"
                        x3="-1.401706"
                        y3="-0.563444"
                        z3="14.834386"/>
                  <atom elementType="O"
                        id="a50"
                        x3="-3.913043"
                        y3="-0.732399"
                        z3="15.589351"/>
                  <atom elementType="O"
                        id="a51"
                        x3="-2.823014"
                        y3="1.831144"
                        z3="15.244250"/>
                  <atom elementType="O"
                        id="a52"
                        x3="-4.886945"
                        y3="-3.000507"
                        z3="16.908969"/>
                  <atom elementType="O"
                        id="a53"
                        x3="1.525887"
                        y3="-1.971887"
                        z3="10.571788"/>
                  <atom elementType="Li"
                        id="a54"
                        x3="-2.500614"
                        y3="-4.943154"
                        z3="14.810286"/>
                  <atom elementType="Li"
                        id="a55"
                        x3="-1.163016"
                        y3="-4.155160"
                        z3="9.141516"/>
                  <atom elementType="Li"
                        id="a56"
                        x3="-4.603976"
                        y3="0.611622"
                        z3="9.043896"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a11 a1" order="S"/>
                  <bond atomRefs2="a19 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a29 a1" order="S"/>
                  <bond atomRefs2="a30 a1" order="S"/>
                  <bond atomRefs2="a9 a2" order="S"/>
                  <bond atomRefs2="a14 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a53 a2" order="S"/>
                  <bond atomRefs2="a7 a3" order="S"/>
                  <bond atomRefs2="a13 a3" order="S"/>
                  <bond atomRefs2="a14 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a37 a3" order="S"/>
                  <bond atomRefs2="a8 a4" order="S"/>
                  <bond atomRefs2="a11 a4" order="S"/>
                  <bond atomRefs2="a12 a4" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a17 a4" order="S"/>
                  <bond atomRefs2="a7 a5" order="S"/>
                  <bond atomRefs2="a8 a5" order="S"/>
                  <bond atomRefs2="a9 a5" order="S"/>
                  <bond atomRefs2="a10 a5" order="S"/>
                  <bond atomRefs2="a20 a5" order="S"/>
                  <bond atomRefs2="a25 a6" order="S"/>
                  <bond atomRefs2="a56 a7" order="S"/>
                  <bond atomRefs2="a56 a8" order="S"/>
                  <bond atomRefs2="a55 a9" order="S"/>
                  <bond atomRefs2="a21 a12" order="S"/>
                  <bond atomRefs2="a56 a12" order="S"/>
                  <bond atomRefs2="a21 a13" order="S"/>
                  <bond atomRefs2="a56 a13" order="S"/>
                  <bond atomRefs2="a24 a15" order="S"/>
                  <bond atomRefs2="a22 a16" order="S"/>
                  <bond atomRefs2="a55 a16" order="S"/>
                  <bond atomRefs2="a55 a20" order="S"/>
                  <bond atomRefs2="a35 a21" order="S"/>
                  <bond atomRefs2="a36 a21" order="S"/>
                  <bond atomRefs2="a39 a21" order="S"/>
                  <bond atomRefs2="a29 a22" order="S"/>
                  <bond atomRefs2="a33 a22" order="S"/>
                  <bond atomRefs2="a34 a22" order="S"/>
                  <bond atomRefs2="a40 a22" order="S"/>
                  <bond atomRefs2="a30 a23" order="S"/>
                  <bond atomRefs2="a38 a23" order="S"/>
                  <bond atomRefs2="a40 a23" order="S"/>
                  <bond atomRefs2="a41 a23" order="S"/>
                  <bond atomRefs2="a47 a23" order="S"/>
                  <bond atomRefs2="a31 a24" order="S"/>
                  <bond atomRefs2="a36 a24" order="S"/>
                  <bond atomRefs2="a38 a24" order="S"/>
                  <bond atomRefs2="a45 a24" order="S"/>
                  <bond atomRefs2="a26 a25" order="S"/>
                  <bond atomRefs2="a27 a25" order="S"/>
                  <bond atomRefs2="a28 a25" order="S"/>
                  <bond atomRefs2="a55 a29" order="S"/>
                  <bond atomRefs2="a43 a32" order="S"/>
                  <bond atomRefs2="a43 a33" order="S"/>
                  <bond atomRefs2="a54 a33" order="S"/>
                  <bond atomRefs2="a42 a35" order="S"/>
                  <bond atomRefs2="a42 a37" order="S"/>
                  <bond atomRefs2="a54 a40" order="S"/>
                  <bond atomRefs2="a49 a42" order="S"/>
                  <bond atomRefs2="a50 a42" order="S"/>
                  <bond atomRefs2="a51 a42" order="S"/>
                  <bond atomRefs2="a46 a43" order="S"/>
                  <bond atomRefs2="a48 a43" order="S"/>
                  <bond atomRefs2="a49 a43" order="S"/>
                  <bond atomRefs2="a45 a44" order="S"/>
                  <bond atomRefs2="a46 a44" order="S"/>
                  <bond atomRefs2="a47 a44" order="S"/>
                  <bond atomRefs2="a50 a44" order="S"/>
                  <bond atomRefs2="a52 a44" order="S"/>
                  <bond atomRefs2="a54 a46" order="S"/>
                  <bond atomRefs2="a54 a47" order="S"/>
               </bondArray>
               <formula concise="Li3O40PW12"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">2899.229517</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/3Li.O4P.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rLi3O36W12.O4P/c4-40-16-42(6)17-41(5)19-43(7,18-40)30-2-31(43)47(11,23-41)27-49(13)25-45(9,21-41)29(42)1-28(42)44(8,20-40)24-48(12)26-46(30,10,22-40)34(2)51(15,35(2)47)38(48)3(39(49)51)36(48)50(14,32(1)44,33(1)45)37(3)49;1-5(2,3)4">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:54;55;56;6,26,27,28,25;7;8;9;10;11;12;13;14;15;16;17;18;19;20;29;30;31;32;33;34;35;36;37;38;39;40;41;45;46;47;48;49;50;51;52;53;1;2;3;4;5;21;22;23;24;42;43;44/E:;;;(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;1.1,2.1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:56nWWWWWO1O3O3O3O1OO3O3OOO3O1O1O1O3WWWWP4O1O1O1O3OO1OO3O1OOOOO1O3O1WWWOO3O3O1OOO1O1O1Li4Li4Li4/rB:;;;;;s3s5;s4s5;s2s5;s5;s1s4;s4;s3;s2s3;s4;s2;s4;s3;s1;s1s5;s12s13;s16;;s15;s6;s25;s25;s25;s1s22;s1s23;s24;s2;s22;s22;s21;s21s24;s3;s23s24;s21;s22s23;s23;s35s37;s32s33;;s24s44;s43s44;s23s44;s43;s42s43;s42s44;s42;s44;s2;s33s40s46s47;s9s16s20s29;s7s8s12s13;/rC:-4.0938,-4.8809,9.6312;-.1273,-1.8538,10.8608;-2.1262,.918,10.811;-6.2454,-1.8771,9.5804;-2.6536,-1.6159,8.5061;-2.5628,-1.4905,10.9542;-2.4374,.2156,9.002;-4.5322,-1.3338,8.7884;-.8545,-2.0039,9.0541;-2.5091,-1.5543,6.8296;-5.4968,-3.6319,9.553;-6.3201,-.0359,10.1529;-4.058,1.0108,10.8715;-.4455,.0101,10.7487;-7.3867,-2.3598,10.9947;-.6637,-3.7249,10.9841;-7.2728,-1.8658,8.248;-1.695,2.5105,10.4792;-4.3825,-5.9034,8.3266;-2.9791,-3.4916,8.8366;-5.7068,.673,11.8626;-1.5498,-5.1364,11.9627;-4.8763,-5.3324,12.9287;-7.0038,-2.3217,12.8851;-3.5467,-2.1659,11.9239;-3.1369,-1.8334,13.368;-4.9727,-1.6513,11.6679;-3.5171,-3.6881,11.7079;-2.3798,-5.5554,10.2857;-4.9127,-5.7943,11.0737;-8.5126,-2.6245,13.5626;-.2621,-1.8168,12.7368;-1.2666,-4.0829,13.5465;-.3552,-6.3177,12.0741;-4.6278,.6716,13.4115;-7.0011,-.4153,12.7194;-2.1518,.8315,12.6817;-6.2466,-4.0805,12.6877;-6.4313,2.1919,11.8762;-3.0029,-5.9313,12.9127;-5.6421,-6.6465,13.6493;-2.9943,.4121,14.3592;-.9807,-2.3506,14.4205;-4.2988,-2.576,15.3904;-5.8565,-2.1772,14.3983;-2.3971,-2.9456,15.5899;-4.3017,-4.2905,14.4527;.3854,-2.6455,15.3575;-1.4017,-.5634,14.8344;-3.913,-.7324,15.5894;-2.823,1.8311,15.2442;-4.8869,-3.0005,16.909;1.5259,-1.9719,10.5718;-2.5006,-4.9432,14.8103;-1.163,-4.1552,9.1415;-4.604,.6116,9.0439;/R:/0/N:54,56,55,31,51,52,39,41,48,17,18,19,53,34,10,45,50,36,35,38,49,15,37,30,32,11,14,47,46,12,13,40,33,8,7,29,16,20,9,24,42,44,21,23,43,4,3,1,2,22,5;6,26,27,28,25/E:(1,2)(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);(1,2,3,4)/CRV:1.4,2.4,3.4,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,28.3,29.3,30.3,31.3,32.3,33.3,34.3,35.3,36.3,37.3,38.3,39.3;1.1,2.1,3.1,4.1,5.4</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>91489.16361800</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>2290.18502100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>94551.64809394</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="56">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="56">W W W W W O O O O O O O O O O O O O O O W W W W P O O O O O O O O O O O O O O O O W W W O O O O O O O O O Li Li Li</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="56">2.65437022 2.65418079 2.65216968 2.65362161 2.64286158 -1.06599042 -0.90812645 -0.91360172 -0.90569598 -0.72697410 -0.95563549 -0.90256101 -0.91229146 -0.92066390 -0.91714963 -0.91370350 -0.72142373 -0.72306648 -0.72173769 -0.91356159 2.65196133 2.64239674 2.65243915 2.66594128 2.05550654 -1.06518788 -1.06542574 -1.06577645 -0.90611728 -0.92113585 -0.71690537 -0.95578028 -0.91409239 -0.72694306 -0.95488826 -0.91854230 -0.95419424 -0.95413026 -0.72349073 -0.90791659 -0.72378453 2.66561618 2.65300842 2.65207397 -0.95499974 -0.90186477 -0.91191831 -0.72147762 -0.91668271 -0.91850967 -0.71639797 -0.72346290 -0.72134267 0.39439144 0.39804754 0.39456423</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="56">2.04313536 2.04293832 2.04490859 2.04512196 2.02096842 -0.82954960 -0.72423789 -0.66992232 -0.72011476 -0.59557438 -0.72941146 -0.71385068 -0.65863721 -0.74425640 -0.74081379 -0.66695841 -0.59000588 -0.59129688 -0.59035947 -0.66660115 2.04423027 2.02096159 2.04525115 2.07010284 1.56380971 -0.82357287 -0.82408302 -0.82970498 -0.72055173 -0.74434760 -0.58254817 -0.72933642 -0.67002474 -0.59540645 -0.72112472 -0.74055343 -0.72453967 -0.72489569 -0.59198678 -0.72429137 -0.59148281 2.07001421 2.04450596 2.04426606 -0.72072777 -0.71317183 -0.65869023 -0.59006205 -0.74048971 -0.74062336 -0.58232351 -0.59206561 -0.59025967 0.46499636 0.46789248 0.46535118</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="56">2.13542708 2.13398670 2.13355007 2.13401036 2.09448086 -0.85767187 -0.78002804 -0.77314748 -0.77977329 -0.58101120 -0.79860671 -0.78196692 -0.76594653 -0.77480163 -0.77259746 -0.76778385 -0.56354614 -0.56466826 -0.56248024 -0.77024993 2.12861344 2.09660430 2.13239565 2.17376006 1.54990155 -0.86560105 -0.86490619 -0.88056808 -0.78192421 -0.77666765 -0.54971879 -0.80873898 -0.76914957 -0.57853806 -0.79388845 -0.77451093 -0.80256429 -0.79731249 -0.56577144 -0.78470483 -0.56612201 2.17213034 2.13491503 2.12977622 -0.79568593 -0.78145869 -0.75553630 -0.56301179 -0.77046805 -0.77342741 -0.54749552 -0.56825125 -0.56464258 0.60671773 0.61018870 0.60848598</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-480.752797</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">625.909033</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-178.711419</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-564.426741</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-1.752142</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-599.734058</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="56">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="56">W W W W W O O O O O O O O O O O O O O O W W W W P O O O O O O O O O O O O O O O O W W W O O O O O O O O O Li Li Li</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="56">2.85203996 2.85159484 2.84661310 2.85109038 2.87367944 -1.07748021 -1.10959262 -1.17279178 -1.11422390 -0.73863720 -1.06694393 -1.11031252 -1.17258156 -1.05132194 -1.03994510 -1.17647552 -0.73722808 -0.73902478 -0.73771850 -1.17621452 2.84743569 2.87249550 2.84558328 2.84320259 2.60196214 -1.08037839 -1.08063460 -1.07623853 -1.11382597 -1.05168905 -0.73589500 -1.06668060 -1.17296943 -0.73819109 -1.05835222 -1.04252031 -1.05485582 -1.05506951 -0.73825988 -1.11022413 -0.73937830 2.84251959 2.84788489 2.84546031 -1.05845496 -1.10987232 -1.17114058 -0.73690549 -1.03967497 -1.04242916 -0.73544844 -0.73816316 -0.73749749 0.90270471 0.88009507 0.90088008</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">1.50967511 -1.26250459 -1.76605804</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">2.170917</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-6.99678559 -21.40395493 67.66466029 64.81791306 -55.88917582 -57.82112747</array>
               </module>
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
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                     <array dataType="xsd:string" dictRef="cc:irrep" size="2035">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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>
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               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-22.03980980</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-599.734058</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">0</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000731695600</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00544218370573</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00521179328723</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="56">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="56">W W W W W O O O O O O O O O O O O O O O W W W W P O O O O O O O O O O O O O O O O W W W O O O O O O O O O Li Li Li</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="56">2.8520 2.8516 2.8466 2.8511 2.8737 -1.0775 -1.1096 -1.1728 -1.1142 -0.7386 -1.0669 -1.1103 -1.1726 -1.0513 -1.0399 -1.1765 -0.7372 -0.7390 -0.7377 -1.1762 2.8474 2.8725 2.8456 2.8432 2.6020 -1.0804 -1.0806 -1.0762 -1.1138 -1.0517 -0.7359 -1.0667 -1.1730 -0.7382 -1.0584 -1.0425 -1.0549 -1.0551 -0.7383 -1.1102 -0.7394 2.8425 2.8479 2.8455 -1.0585 -1.1099 -1.1711 -0.7369 -1.0397 -1.0424 -0.7354 -0.7382 -0.7375 0.9027 0.8801 0.9009</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="56">10.0103 10.0105 10.0127 10.0117 10.0041 3.8458 3.9183 3.9005 3.9180 3.9530 3.9085 3.9171 3.9002 3.9232 3.9231 3.9011 3.9541 3.9539 3.9542 3.9009 10.0135 10.0045 10.0134 10.0045 4.3894 3.8451 3.8455 3.8459 3.9180 3.9232 3.9543 3.9084 3.9009 3.9530 3.9082 3.9231 3.9084 3.9086 3.9538 3.9184 3.9539 10.0048 10.0121 10.0141 3.9080 3.9172 3.8999 3.9540 3.9231 3.9230 3.9543 3.9538 3.9541 1.9445 1.9569 1.9453</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="56">24.1102 24.1107 24.1146 24.1104 24.1248 5.1913 5.1631 5.2490 5.1681 4.7431 5.1337 5.1653 5.2492 5.0983 5.0872 5.2521 4.7406 4.7427 4.7409 5.2521 24.1140 24.1246 24.1152 24.1058 7.1439 5.1951 5.1949 5.1901 5.1677 5.0986 4.7389 5.1336 5.2488 4.7427 5.1255 5.0898 5.1216 5.1217 4.7419 5.1638 4.7430 24.1052 24.1119 24.1146 5.1258 5.1648 5.2480 4.7403 5.0870 5.0898 4.7385 4.7419 4.7408 0.0978 0.1073 0.0987</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="56">22.9924 22.9921 22.9910 22.9918 22.9622 0.0403 0.0282 0.0233 0.0281 0.0425 0.0247 0.0278 0.0232 0.0298 0.0297 0.0232 0.0426 0.0425 0.0426 0.0232 22.9900 22.9631 22.9908 23.0115 0.8648 0.0402 0.0402 0.0402 0.0281 0.0298 0.0426 0.0247 0.0233 0.0425 0.0246 0.0296 0.0248 0.0248 0.0425 0.0281 0.0425 23.0124 22.9931 22.9908 0.0246 0.0279 0.0232 0.0426 0.0297 0.0296 0.0426 0.0425 0.0426 0.0550 0.0557 0.0551</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="56">14.0351 14.0351 14.0351 14.0350 14.0352 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 0.0000 14.0350 14.0352 14.0350 14.0350 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 0.0000 0.0000 0.0000 14.0350 14.0350 14.0350 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </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">-28.446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.12 7.89 7.41 6.73 5.40 5.18 4.90 4.80 4.53 4.53 4.42 4.17 3.27 3.05 2.48 2.19 1.79 1.59 1.50 1.44 1.19 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">31 16 21 32 48 35 22 15 38 20 49 46 18 34 23 27 37 44 13 30 40 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-28.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">466</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.67 6.54 6.07 6.06 6.04 5.91 5.90 5.70 5.49 5.26 4.75 4.73 2.62 2.25 2.23 2.22 1.99 1.66 1.57 1.49 1.14 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">32 22 19 21 48 42 14 45 27 23 44 37 15 18 35 34 46 39 20 40 29 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-28.428</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">467</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.37 7.11 6.63 6.50 6.31 6.30 5.47 5.42 5.29 5.25 5.24 4.95 2.40 2.36 2.10 1.91 1.27 1.24 1.23 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">38 49 40 42 39 14 45 16 31 34 19 18 23 27 20 46 15 28 29 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-28.156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">468</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">6.57 6.20 6.02 6.00 5.77 5.72 5.65 5.63 5.46 5.43 5.41 5.41 5.35 5.18 4.68 4.66 1.70 1.36 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">14 42 16 31 19 44 37 45 49 46 38 35 15 20 23 27 5 12 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-28.141</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">469</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">6.64 6.54 6.42 5.86 5.86 5.72 5.55 5.52 5.48 5.33 5.31 5.31 5.17 5.13 4.98 4.50 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 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="17">45 48 19 22 18 21 42 20 15 35 14 46 40 34 32 39 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-28.137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">470</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.92 6.83 6.69 5.90 5.80 5.79 5.71 5.66 5.41 5.08 5.07 5.01 4.89 4.86 4.81 4.80 1.34 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">49 38 32 21 27 23 22 34 39 48 31 18 16 37 44 40 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-27.992</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">471</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">8.05 7.88 7.86 7.82 7.17 7.08 6.07 6.05 5.01 4.90 4.39 4.33 3.14 3.13 2.47 2.45 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 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="17">34 40 18 39 21 32 48 22 44 37 38 49 27 23 31 16 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-27.941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">472</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.89 7.89 7.33 7.20 5.70 5.60 5.59 5.53 4.85 4.77 4.25 4.21 3.69 3.53 2.30 2.30 1.39 1.22 1.21 1.19 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -27.198 -27.198 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">35 15 20 46 42 37 14 44 19 45 38 49 23 27 16 31 5 12 39 40 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-27.787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">8.76 8.73 6.70 6.67 6.67 6.61 5.03 5.01 4.99 4.94 4.38 4.34 3.49 3.39 2.97 2.94</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">14 42 15 35 45 19 49 38 46 20 31 16 27 23 37 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-27.728</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">8.77 8.69 7.25 7.24 6.79 6.68 5.67 5.53 3.77 3.76 3.72 3.72 3.39 3.34 2.77 2.75</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">32 21 18 34 22 48 39 40 38 49 27 23 16 31 37 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-27.679</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">475</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.75 10.46 9.34 9.31 9.26 9.26 9.02 8.71 1.40 1.20 1.06 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">2 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198</array>
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                               units="nonsi:electronvolt">-4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382</array>
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                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.410</scalar>
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                        <array dataType="xsd:double"
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                               size="23"
                               units="nonsi:electronvolt">-4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 0.094 0.094 -9.955 -9.955 0.094 -4.382 0.094 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.00 0.00 1.33 1.33 0.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">12 5 1 2 10 6 7 9 9 7 10 7 50 52 6 1 2 33 26 9 1 10 9</array>
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                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.518</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">664</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.99 4.60 4.45 3.67 3.36 2.97 2.31 2.04 2.00 1.99 1.94 1.77 1.68 1.62 1.61 1.52 1.50 1.44 1.43 1.35 1.23 1.22 1.17 1.17 1.14 1.10 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 3 3 3 3 1 3 5 3 3 3 1 3 1 3 5 3 3 3 1 5 3 3 1 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:z2 D:x2-y2 D:xy D:xz D:yz P:y D:xy P:y D:x2-y2 D:x2-y2 D:x2-y2 P:y D:z2 P:z D:yz P:y D:xz D:xy D:z2 P:y P:z D:yz D:xz P:y D:xz D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 0.094 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 0.094 -4.382 -4.382 -4.382 -9.955 0.094 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.00 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.00 0.80 0.80 0.80 1.33 0.00 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">7 5 3 8 4 8 25 3 3 5 11 2 43 9 17 1 8 7 6 3 23 5 11 10 40 9 1 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O W W W W W O W O W W W W W O W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.578</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">665</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.52 6.03 5.14 4.41 3.57 2.73 2.53 2.43 2.35 2.31 2.20 2.00 1.93 1.82 1.73 1.67 1.66 1.65 1.52 1.42 1.35 1.33 1.32 1.25 1.21 1.20 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 3 3 3 1 5 3 3 3 3 3 1 3 1 5 5 1 3 3 1 3 1 5 5 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:xy D:xy D:z2 D:z2 P:z P:z D:x2-y2 D:yz D:z2 D:z2 D:x2-y2 P:y D:z2 P:z P:y P:z P:z D:yz D:xy P:y D:x2-y2 P:x P:y P:x D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.382 -4.382 -4.382 -4.382 -4.382 -9.955 0.094 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 0.094 0.094 -9.955 -4.382 -4.382 -9.955 -4.382 -9.955 0.094 0.094 -4.382 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 1.33 0.00 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.00 0.00 1.33 0.80 0.80 1.33 0.80 1.33 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">5 7 6 12 3 17 5 6 12 7 8 9 41 2 51 6 12 39 10 1 36 12 36 7 7 8 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W O W W W W W W O W O W W O W W O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">666</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.01 7.35 3.78 3.74 3.49 3.05 2.29 2.23 2.10 1.95 1.80 1.67 1.67 1.65 1.43 1.35 1.34 1.34 1.32 1.24 1.23 1.21 1.17 1.12 1.12 1.11 1.07 1.06 1.03 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 3 3 3 3 3 3 1 1 1 3 5 3 5 3 3 3 1 3 3 5 1 5 1 1 5 1 3 5 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xz D:xz D:xz D:z2 D:xy D:z2 D:z2 D:x2-y2 P:z P:x P:z D:x2-y2 P:z D:z2 P:x D:x2-y2 D:z2 D:x2-y2 P:y D:xy D:xz P:z P:z P:y P:z P:z P:z P:z D:xz P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 0.094 -4.382 0.094 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 0.094 -9.955 0.094 -9.955 -9.955 0.094 -9.955 -4.382 0.094 -9.955 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.00 0.80 0.00 0.80 0.80 0.80 1.33 0.80 0.80 0.00 1.33 0.00 1.33 1.33 0.00 1.33 0.80 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">11 4 12 5 7 6 12 11 24 47 51 6 4 4 11 12 3 4 41 6 6 12 34 6 17 47 11 44 9 5 24 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W O O O W W W W W W W O W W W O W O O W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.52 4.72 4.24 4.00 3.94 3.75 3.26 3.23 2.64 2.41 2.37 2.36 2.18 1.80 1.73 1.44 1.44 1.44 1.44 1.41 1.29 1.13 1.09 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 3 3 7 3 7 3 3 6 3 6 3 3 7 7 3 1 1 1 3 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:xz D:x2-y2 S D:yz S D:z2 D:xz S D:x2-y2 S D:z2 D:z2 S S D:z2 P:z P:z P:y D:xy D:yz D:xz D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.382 -4.382 -4.382 1.678 -4.382 1.678 -4.382 -4.382 -6.463 -4.382 -6.463 -4.382 -4.382 1.678 1.678 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 2.00 0.80 2.00 0.80 0.80 0.00 0.00 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">5 6 12 9 7 10 3 7 9 4 10 7 6 6 12 2 34 39 18 8 11 12 4 11 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W O O O W W W W W W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
