<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:a="http://www.iochem-bd.org/dictionary/adf/"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="adf.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">AMS</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">2021.101</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string">r94406</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2021-05-14</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:date">2025-02-18T10:37:09.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">SINGLE POINT</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBE0                                    == Not Default ==</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.3">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.4">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="1.128277"
                        y3="8.194000"
                        z3="8.313215"/>
                  <atom elementType="W"
                        id="a2"
                        x3="2.965474"
                        y3="6.330137"
                        z3="10.996227"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-0.617915"
                        y3="6.450770"
                        z3="5.857670"/>
                  <atom elementType="W"
                        id="a4"
                        x3="2.944409"
                        y3="6.453793"
                        z3="5.910610"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.833735"
                        y3="6.319124"
                        z3="10.891587"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-15.928254"
                        y3="4.596124"
                        z3="8.459348"/>
                  <atom elementType="O"
                        id="a7"
                        x3="6.782266"
                        y3="4.596124"
                        z3="8.459348"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="4.708333"
                        y3="4.596697"
                        z3="8.615390"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-8.989330"
                        y3="4.597867"
                        z3="9.296004"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.598122"
                        y3="4.596350"
                        z3="8.457196"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-8.958146"
                        y3="8.045910"
                        z3="6.892381"/>
                  <atom elementType="P"
                        id="a12"
                        x3="1.137516"
                        y3="4.596527"
                        z3="8.434854"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.057577"
                        y3="6.223354"
                        z3="11.366836"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.046095"
                        y3="4.600242"
                        z3="11.780993"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.184497"
                        y3="6.689154"
                        z3="5.090962"/>
                  <atom elementType="O"
                        id="a16"
                        x3="3.133906"
                        y3="4.600610"
                        z3="11.876302"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-0.189543"
                        y3="8.048297"
                        z3="6.900970"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-0.461618"
                        y3="4.592841"
                        z3="5.344338"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.563600"
                        y3="7.124679"
                        z3="4.566675"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.415439"
                        y3="7.578232"
                        z3="9.608985"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.493865"
                        y3="8.052387"
                        z3="6.953020"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.223298"
                        y3="7.570284"
                        z3="9.539973"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.949043"
                        y3="5.948475"
                        z3="7.086393"/>
                  <atom elementType="O"
                        id="a24"
                        x3="4.586346"
                        y3="5.983560"
                        z3="10.067684"/>
                  <atom elementType="O"
                        id="a25"
                        x3="2.829201"
                        y3="4.592801"
                        z3="5.393277"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.160802"
                        y3="4.597397"
                        z3="9.300782"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.577769"
                        y3="4.595743"
                        z3="8.052046"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.450995"
                        y3="4.597567"
                        z3="9.306508"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-2.421237"
                        y3="5.967585"
                        z3="9.899846"/>
                  <atom elementType="O"
                        id="a30"
                        x3="3.946639"
                        y3="7.132893"
                        z3="4.664739"/>
                  <atom elementType="O"
                        id="a31"
                        x3="4.228452"
                        y3="5.950485"
                        z3="7.201443"/>
                  <atom elementType="O"
                        id="a32"
                        x3="3.514566"
                        y3="7.401311"
                        z3="12.246949"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-2.421110"
                        y3="3.228123"
                        z3="9.902772"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.146683"
                        y3="5.870320"
                        z3="7.544411"/>
                  <atom elementType="O"
                        id="a35"
                        x3="1.118779"
                        y3="9.903718"
                        z3="8.599900"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-7.581676"
                        y3="7.119926"
                        z3="4.560372"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-1.440029"
                        y3="7.393763"
                        z3="12.113066"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-7.710905"
                        y3="1.810255"
                        z3="12.117769"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-7.198085"
                        y3="5.946873"
                        z3="7.081991"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.146684"
                        y3="3.320832"
                        z3="7.547546"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-11.563310"
                        y3="7.579885"
                        z3="9.600791"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.228335"
                        y3="3.239532"
                        z3="7.204754"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-7.710778"
                        y3="7.397235"
                        z3="12.105984"/>
                  <atom elementType="O"
                        id="a44"
                        x3="-13.375529"
                        y3="5.947566"
                        z3="7.191366"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-6.728048"
                        y3="5.968533"
                        z3="9.895072"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-10.266764"
                        y3="-0.710871"
                        z3="8.610900"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-13.733953"
                        y3="5.986180"
                        z3="10.057208"/>
                  <atom elementType="O"
                        id="a48"
                        x3="1.057606"
                        y3="2.976384"
                        z3="11.370171"/>
                  <atom elementType="O"
                        id="a49"
                        x3="1.184454"
                        y3="2.496070"
                        z3="5.096215"/>
                  <atom elementType="O"
                        id="a50"
                        x3="-0.189824"
                        y3="1.141282"
                        z3="6.909052"/>
                  <atom elementType="O"
                        id="a51"
                        x3="-10.266482"
                        y3="9.903876"
                        z3="8.589226"/>
                  <atom elementType="O"
                        id="a52"
                        x3="-1.563481"
                        y3="2.059468"
                        z3="4.572335"/>
                  <atom elementType="O"
                        id="a53"
                        x3="2.415485"
                        y3="1.617504"
                        z3="9.616073"/>
                  <atom elementType="O"
                        id="a54"
                        x3="2.493919"
                        y3="1.137005"
                        z3="6.961341"/>
                  <atom elementType="O"
                        id="a55"
                        x3="-0.223527"
                        y3="1.625160"
                        z3="9.546934"/>
                  <atom elementType="O"
                        id="a56"
                        x3="3.946631"
                        y3="2.050936"
                        z3="4.670986"/>
                  <atom elementType="O"
                        id="a57"
                        x3="3.514242"
                        y3="1.800838"
                        z3="12.253519"/>
                  <atom elementType="O"
                        id="a58"
                        x3="1.118527"
                        y3="-0.710416"
                        z3="8.612471"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-1.439922"
                        y3="1.807368"
                        z3="12.119505"/>
                  <atom elementType="W"
                        id="a60"
                        x3="-10.276464"
                        y3="8.193432"
                        z3="8.305116"/>
                  <atom elementType="W"
                        id="a61"
                        x3="-8.317046"
                        y3="6.321096"
                        z3="10.885735"/>
                  <atom elementType="Tc"
                        id="a62"
                        x3="-13.854785"
                        y3="4.596320"
                        z3="8.603011"/>
                  <atom elementType="W"
                        id="a63"
                        x3="-12.089573"
                        y3="6.451188"
                        z3="5.901118"/>
                  <atom elementType="W"
                        id="a64"
                        x3="-8.527756"
                        y3="6.447830"
                        z3="5.852073"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-10.295907"
                        y3="3.319414"
                        z3="7.543298"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-12.284164"
                        y3="4.603040"
                        z3="11.870232"/>
                  <atom elementType="W"
                        id="a67"
                        x3="-12.116977"
                        y3="6.331778"
                        z3="10.987962"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-10.330782"
                        y3="6.685362"
                        z3="5.082833"/>
                  <atom elementType="W"
                        id="a69"
                        x3="-10.276664"
                        y3="0.998106"
                        z3="8.319673"/>
                  <atom elementType="W"
                        id="a70"
                        x3="-8.317135"
                        y3="2.881415"
                        z3="10.892793"/>
                  <atom elementType="W"
                        id="a71"
                        x3="-12.089679"
                        y3="2.730132"
                        z3="5.908851"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.128146"
                        y3="0.998676"
                        z3="8.321718"/>
                  <atom elementType="W"
                        id="a73"
                        x3="2.965476"
                        y3="2.868906"
                        z3="11.000246"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-0.617972"
                        y3="2.736245"
                        z3="5.862143"/>
                  <atom elementType="W"
                        id="a75"
                        x3="2.944405"
                        y3="2.733127"
                        z3="5.915228"/>
                  <atom elementType="W"
                        id="a76"
                        x3="-0.833833"
                        y3="2.879373"
                        z3="10.895548"/>
                  <atom elementType="W"
                        id="a77"
                        x3="-8.527931"
                        y3="2.733381"
                        z3="5.859816"/>
                  <atom elementType="W"
                        id="a78"
                        x3="-12.117184"
                        y3="2.870727"
                        z3="10.994920"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-10.207482"
                        y3="2.978100"
                        z3="11.365602"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-10.330806"
                        y3="2.492460"
                        z3="5.091509"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-11.641853"
                        y3="1.135655"
                        z3="6.957797"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-13.091700"
                        y3="2.046829"
                        z3="4.664865"/>
                  <atom elementType="O"
                        id="a83"
                        x3="-8.958314"
                        y3="1.139586"
                        z3="6.906668"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-11.563554"
                        y3="1.616741"
                        z3="9.612674"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-13.375546"
                        y3="3.239403"
                        z3="7.197232"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-6.548574"
                        y3="4.596145"
                        z3="8.455209"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-6.728056"
                        y3="3.229756"
                        z3="9.900951"/>
                  <atom elementType="O"
                        id="a88"
                        x3="-13.734130"
                        y3="3.212558"
                        z3="10.063008"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-12.665788"
                        y3="1.803763"
                        z3="12.249706"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-8.103808"
                        y3="4.603062"
                        z3="11.776481"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-11.975547"
                        y3="4.589615"
                        z3="5.385780"/>
                  <atom elementType="O"
                        id="a92"
                        x3="-8.924669"
                        y3="1.625438"
                        z3="9.543872"/>
                  <atom elementType="O"
                        id="a93"
                        x3="-13.091598"
                        y3="7.129555"
                        z3="4.654371"/>
                  <atom elementType="O"
                        id="a94"
                        x3="-12.665540"
                        y3="7.403807"
                        z3="12.238199"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-10.295793"
                        y3="5.868980"
                        z3="7.538138"/>
                  <atom elementType="P"
                        id="a96"
                        x3="-10.287446"
                        y3="4.596135"
                        z3="8.429625"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-10.207289"
                        y3="6.225640"
                        z3="11.359047"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-7.581609"
                        y3="2.056053"
                        z3="4.571098"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-8.685632"
                        y3="4.589600"
                        z3="5.340507"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-8.924510"
                        y3="7.571287"
                        z3="9.531935"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-7.198404"
                        y3="3.239909"
                        z3="7.087775"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-11.601007"
                        y3="4.597978"
                        z3="9.301588"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-1.949106"
                        y3="3.241300"
                        z3="7.089458"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.586351"
                        y3="3.213279"
                        z3="10.071112"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-11.641647"
                        y3="8.050031"
                        z3="6.943661"/>
                  <atom elementType="H"
                        id="a106"
                        x3="7.092491"
                        y3="4.596387"
                        z3="9.389004"/>
                  <atom elementType="H"
                        id="a107"
                        x3="-16.132517"
                        y3="4.595214"
                        z3="7.500709"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a17 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a21 a1" order="S"/>
                  <bond atomRefs2="a22 a1" order="S"/>
                  <bond atomRefs2="a34 a1" order="S"/>
                  <bond atomRefs2="a35 a1" order="S"/>
                  <bond atomRefs2="a13 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a20 a2" order="S"/>
                  <bond atomRefs2="a24 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a15 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a23 a3" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a21 a4" order="S"/>
                  <bond atomRefs2="a25 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a31 a4" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a22 a5" order="S"/>
                  <bond atomRefs2="a26 a5" order="S"/>
                  <bond atomRefs2="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="a62 a6" order="S"/>
                  <bond atomRefs2="a107 a6" order="S"/>
                  <bond atomRefs2="a8 a7" order="S"/>
                  <bond atomRefs2="a106 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a42 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a96 a9" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a27 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a33 a10" order="S"/>
                  <bond atomRefs2="a103 a10" order="S"/>
                  <bond atomRefs2="a60 a11" order="S"/>
                  <bond atomRefs2="a64 a11" order="S"/>
                  <bond atomRefs2="a26 a12" order="S"/>
                  <bond atomRefs2="a28 a12" order="S"/>
                  <bond atomRefs2="a34 a12" order="S"/>
                  <bond atomRefs2="a40 a12" order="S"/>
                  <bond atomRefs2="a76 a14" order="S"/>
                  <bond atomRefs2="a73 a16" order="S"/>
                  <bond atomRefs2="a74 a18" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a76 a26" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a64 a36" order="S"/>
                  <bond atomRefs2="a70 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a86 a39" order="S"/>
                  <bond atomRefs2="a72 a40" order="S"/>
                  <bond atomRefs2="a60 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a75 a42" order="S"/>
                  <bond atomRefs2="a61 a43" order="S"/>
                  <bond atomRefs2="a62 a44" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a61 a45" order="S"/>
                  <bond atomRefs2="a86 a45" order="S"/>
                  <bond atomRefs2="a69 a46" order="S"/>
                  <bond atomRefs2="a62 a47" order="S"/>
                  <bond atomRefs2="a67 a47" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a76 a48" order="S"/>
                  <bond atomRefs2="a74 a49" order="S"/>
                  <bond atomRefs2="a75 a49" order="S"/>
                  <bond atomRefs2="a72 a50" order="S"/>
                  <bond atomRefs2="a74 a50" order="S"/>
                  <bond atomRefs2="a60 a51" order="S"/>
                  <bond atomRefs2="a74 a52" order="S"/>
                  <bond atomRefs2="a72 a53" order="S"/>
                  <bond atomRefs2="a73 a53" order="S"/>
                  <bond atomRefs2="a72 a54" order="S"/>
                  <bond atomRefs2="a75 a54" order="S"/>
                  <bond atomRefs2="a72 a55" order="S"/>
                  <bond atomRefs2="a76 a55" order="S"/>
                  <bond atomRefs2="a75 a56" order="S"/>
                  <bond atomRefs2="a73 a57" order="S"/>
                  <bond atomRefs2="a72 a58" order="S"/>
                  <bond atomRefs2="a76 a59" order="S"/>
                  <bond atomRefs2="a95 a60" order="S"/>
                  <bond atomRefs2="a100 a60" order="S"/>
                  <bond atomRefs2="a105 a60" order="S"/>
                  <bond atomRefs2="a90 a61" order="S"/>
                  <bond atomRefs2="a97 a61" order="S"/>
                  <bond atomRefs2="a100 a61" order="S"/>
                  <bond atomRefs2="a85 a62" order="S"/>
                  <bond atomRefs2="a88 a62" order="S"/>
                  <bond atomRefs2="a68 a63" order="S"/>
                  <bond atomRefs2="a91 a63" order="S"/>
                  <bond atomRefs2="a93 a63" order="S"/>
                  <bond atomRefs2="a105 a63" order="S"/>
                  <bond atomRefs2="a68 a64" order="S"/>
                  <bond atomRefs2="a99 a64" order="S"/>
                  <bond atomRefs2="a69 a65" order="S"/>
                  <bond atomRefs2="a96 a65" order="S"/>
                  <bond atomRefs2="a67 a66" order="S"/>
                  <bond atomRefs2="a78 a66" order="S"/>
                  <bond atomRefs2="a94 a67" order="S"/>
                  <bond atomRefs2="a97 a67" order="S"/>
                  <bond atomRefs2="a102 a67" order="S"/>
                  <bond atomRefs2="a81 a69" order="S"/>
                  <bond atomRefs2="a83 a69" order="S"/>
                  <bond atomRefs2="a84 a69" order="S"/>
                  <bond atomRefs2="a92 a69" order="S"/>
                  <bond atomRefs2="a79 a70" order="S"/>
                  <bond atomRefs2="a87 a70" order="S"/>
                  <bond atomRefs2="a90 a70" order="S"/>
                  <bond atomRefs2="a92 a70" order="S"/>
                  <bond atomRefs2="a80 a71" order="S"/>
                  <bond atomRefs2="a81 a71" order="S"/>
                  <bond atomRefs2="a82 a71" order="S"/>
                  <bond atomRefs2="a85 a71" order="S"/>
                  <bond atomRefs2="a91 a71" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a80 a77" order="S"/>
                  <bond atomRefs2="a83 a77" order="S"/>
                  <bond atomRefs2="a98 a77" order="S"/>
                  <bond atomRefs2="a99 a77" order="S"/>
                  <bond atomRefs2="a101 a77" order="S"/>
                  <bond atomRefs2="a79 a78" order="S"/>
                  <bond atomRefs2="a84 a78" order="S"/>
                  <bond atomRefs2="a88 a78" order="S"/>
                  <bond atomRefs2="a89 a78" order="S"/>
                  <bond atomRefs2="a102 a78" order="S"/>
                  <bond atomRefs2="a87 a86" order="S"/>
                  <bond atomRefs2="a101 a86" order="S"/>
                  <bond atomRefs2="a96 a95" order="S"/>
                  <bond atomRefs2="a102 a96" order="S"/>
               </bondArray>
               <formula concise="H2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5398.580018</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2O4P.2H2O.69O.4Tc.20W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;4*+1/p-2/rH2O79P2Tc4W20/c1-80-25-100(19)58-88(7)34-83(4)35-89(8,47-88)51-91(10)37-84(36-90(9,50-88,52-91)60-100,38-96(15,66-100)55-97(16,39-84)67-101(20,26-80,59-89,61-91)73-103(22,43-83,71-97)76-102(21,42-83,70-96,72-100)78(80)103)29-85-40-92(11)48-86(5)30-82(3)31-87(6,46-86)49-93(12,41-85,53-92)63-99(18,57-87)28-81(2)27-98(17,56-86,62-92)64-94(13,32-82)54-95(14,33-82,65-99)69-105(24,45-85,75-99)77-104(23,44-85,68-94,74-98)79(81)105/h3-4H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9,65,95,102,96;26,28,34,40,12;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;36;37;38;39;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;66;68;79;80;81;82;83;84;85;87;88;89;90;91;92;93;94;97;98;99;100;101;103;104;105;10;86;8;62;2;3;4;5;61;63;64;67;70;71;73;74;75;76;77;78;1;60;69;72/E:2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3-1,4.1,5.4;1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:107nWWWWWOOTcO1TcOP4OOOOOOO1OOOOOOO3OO1OO1OO1OOO1O1O1O1OOOOO1OOO1OOOOO1O1OOOO1O1O1O1WWTcWWOOWOWWWWWWWWWWOOOO1OOOTcOOO1OOOO1O1OP4OO1OOOO3OOOHH/rB:;;;;;;s7;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s5s12;s10;s12;s5s10;s4;s4s8;s2;s10;s1s12;s1;;s5;;;s12;;s8;;;;;;;;;;;;;;;;;;s11s41s51;s43s45;s6s44s47;s44;s11s36s39;;;s41s47s66;s63s64;s46s65;s38;;s40s50s53s54s55s58;s16s48s53s57;s18s49s50s52;s25s42s49s54s56;s14s26s33s48s55s59;;s66;s70s78;s71s77;s69s71;s71;s69s77;s69s78;s62s71;s27s39s45;s70s86;s62s78;s78;s61s70;s63s71;s69s70;s63;s67;s60;s9s65s95;s61s67;s77;s64s77;s60s61;s77s86;s67s78s96;s10s74;s8s73;s60s63;s7;s6;/rC:1.1283,8.194,8.3132;2.9655,6.3301,10.9962;-.6179,6.4508,5.8577;2.9444,6.4538,5.9106;-.8337,6.3191,10.8916;-15.9283,4.5961,8.4593;6.7823,4.5961,8.4593;4.7083,4.5967,8.6154;-8.9893,4.5979,9.296;-2.5981,4.5964,8.4572;-8.9581,8.0459,6.8924;1.1375,4.5965,8.4349;1.0576,6.2234,11.3668;-1.0461,4.6002,11.781;1.1845,6.6892,5.091;3.1339,4.6006,11.8763;-.1895,8.0483,6.901;-.4616,4.5928,5.3443;-1.5636,7.1247,4.5667;2.4154,7.5782,9.609;2.4939,8.0524,6.953;-.2233,7.5703,9.54;-1.949,5.9485,7.0864;4.5863,5.9836,10.0677;2.8292,4.5928,5.3933;-.1608,4.5974,9.3008;-4.5778,4.5957,8.052;2.451,4.5976,9.3065;-2.4212,5.9676,9.8998;3.9466,7.1329,4.6647;4.2285,5.9505,7.2014;3.5146,7.4013,12.2469;-2.4211,3.2281,9.9028;1.1467,5.8703,7.5444;1.1188,9.9037,8.5999;-7.5817,7.1199,4.5604;-1.44,7.3938,12.1131;-7.7109,1.8103,12.1178;-7.1981,5.9469,7.082;1.1467,3.3208,7.5475;-11.5633,7.5799,9.6008;4.2283,3.2395,7.2048;-7.7108,7.3972,12.106;-13.3755,5.9476,7.1914;-6.728,5.9685,9.8951;-10.2668,-.7109,8.6109;-13.734,5.9862,10.0572;1.0576,2.9764,11.3702;1.1845,2.4961,5.0962;-.1898,1.1413,6.9091;-10.2665,9.9039,8.5892;-1.5635,2.0595,4.5723;2.4155,1.6175,9.6161;2.4939,1.137,6.9613;-.2235,1.6252,9.5469;3.9466,2.0509,4.671;3.5142,1.8008,12.2535;1.1185,-.7104,8.6125;-1.4399,1.8074,12.1195;-10.2765,8.1934,8.3051;-8.317,6.3211,10.8857;-13.8548,4.5963,8.603;-12.0896,6.4512,5.9011;-8.5278,6.4478,5.8521;-10.2959,3.3194,7.5433;-12.2842,4.603,11.8702;-12.117,6.3318,10.988;-10.3308,6.6854,5.0828;-10.2767,.9981,8.3197;-8.3171,2.8814,10.8928;-12.0897,2.7301,5.9089;1.1281,.9987,8.3217;2.9655,2.8689,11.0002;-.618,2.7362,5.8621;2.9444,2.7331,5.9152;-.8338,2.8794,10.8955;-8.5279,2.7334,5.8598;-12.1172,2.8707,10.9949;-10.2075,2.9781,11.3656;-10.3308,2.4925,5.0915;-11.6419,1.1357,6.9578;-13.0917,2.0468,4.6649;-8.9583,1.1396,6.9067;-11.5636,1.6167,9.6127;-13.3755,3.2394,7.1972;-6.5486,4.5961,8.4552;-6.7281,3.2298,9.901;-13.7341,3.2126,10.063;-12.6658,1.8038,12.2497;-8.1038,4.6031,11.7765;-11.9755,4.5896,5.3858;-8.9247,1.6254,9.5439;-13.0916,7.1296,4.6544;-12.6655,7.4038,12.2382;-10.2958,5.869,7.5381;-10.2874,4.5961,8.4296;-10.2073,6.2256,11.359;-7.5816,2.0561,4.5711;-8.6856,4.5896,5.3405;-8.9245,7.5713,9.5319;-7.1984,3.2399,7.0878;-11.601,4.598,9.3016;-1.9491,3.2413,7.0895;4.5864,3.2133,10.0711;-11.6416,8.05,6.9437;7.0925,4.5964,9.389;-16.1325,4.5952,7.5007;/R:/0/N:9,28,7,6,30,56,82,93,98,36,19,52,32,57,38,43,35,58,46,51,89,94,37,59,65,95,34,40,27,31,42,24,104,85,44,101,39,87,45,23,103,88,47,29,33,25,91,15,49,80,68,99,18,16,90,21,54,81,105,83,11,17,50,20,53,92,100,13,48,79,97,84,41,22,55,66,14,102,26,96,12,8,62,86,10,4,75,71,63,77,64,3,74,2,73,70,61,1,72,69,60,78,67,5,76/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(48,49)(50,51)(56,57)(58,59)(60,61)(62,63)(64,65)(66,67)(68,69)(70,71)(72,73)(74,75)(86,87)(88,89)(90,91)(92,93)(94,95)(96,97)(98,99)(100,101)(102,103)(104,105)/CRV:1.1,2.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,23.1,24.1,78.3,79.3,80.4,81.4,82.5,83.5,84.5,85.5</scalar>
               </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">Unrestricted</scalar>
                     <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">3489.22018078</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">10163.32232736</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Tc" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Technetium</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">3d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="P" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Phosphorus</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="H" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="253" startLine="252"/>
                  <list cmlx:templateRef="spin" endLine="257" startLine="255">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="266" startLine="259">
                     <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 SinglePoint</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">        W 1.128271089796755 8.193957261794887 8.313171048077765 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.965458776553912 6.330103606326871 10.99616865521999 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.6179116729573972 6.450735777342618 5.857639566982347 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.944393682496358 6.453759387995939 5.91057895033418 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.8337307524730272 6.319090651914271 10.89152985750521 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -15.92817 4.596099999999999 8.459303 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 6.78223 4.596099999999999 8.459303 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc 4.70830783328537 4.596673071577455 8.615344834445411 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.989282186702184 4.597842934010357 9.295955153640348 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -2.598108708179917 4.596326271214165 8.457151356920123 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.958098663708755 8.04586795984136 6.892344976943104 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P 1.137509557409212 4.59650297727316 8.434809665678772 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.057571305903991 6.223320991678019 11.36677624268867 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.046089425183108 4.600217443499226 11.78093100978885 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.184491132938409 6.689118710508292 5.090935302446249 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.133889716553647 4.600586036933906 11.87623981819115 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1895415559581566 8.048254395343417 6.900933757011913 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.4616155773355536 4.592816635514695 5.344310321335366 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.563591448116123 7.124641856361126 4.566650946282244 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.415426046070372 7.578192504932825 9.608934708482941 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.493852135362493 8.052344112303079 6.952983173977088 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.2232970450208285 7.570243610473814 9.539922653698371 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.949032552317206 5.948443726813426 7.086356034683071 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.58632176172966 5.983528955440932 10.06763059336831 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.82918600201073 4.592776867084764 5.393248759283339 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.160801238274854 4.597372559764917 9.300732918663266 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.577744917736712 4.595718940304784 8.052003739346759 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.450981658703727 4.597542414263971 9.306459153791264 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.421223868831044 5.967553448244337 9.899793751258443 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.946617972367284 7.132855648919834 4.664713952338309 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.228429505589754 5.950453502941877 7.201404791640285 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.514547835792353 7.401272349021464 12.24688418762218 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.421097123428372 3.228105918975395 9.902720191263668 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.146677060477863 5.870289192152407 7.544370742106274 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.118773149411346 9.903666133407478 8.599855164866122 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.581635916628683 7.11988860778633 4.560347998767061 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.440020961023218 7.393723780692993 12.1130017427606 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.710864480280021 1.810245467818418 12.11770522857732 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.198046597789424 5.946841528347385 7.081953253865264 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.146678420306442 3.320814397158824 7.547506224541325 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.56324907058812 7.579845355073817 9.600740797217227 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.228313111543191 3.239514867617745 7.204716142451542 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.710737502257048 7.397195602224528 12.10591972816903 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.37545813208174 5.947534863568089 7.191328043649022 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.728012436898286 5.968501857544554 9.895020103894158 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.26671002127314 -0.7108677398036081 8.61085447906688 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.73388101176369 5.986148853425901 10.0571550293676 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.057600761650948 2.976367847536723 11.37011085844575 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.184447823270569 2.496056785408558 5.096187980924199 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1898233523350791 1.141276329698043 6.909015999556047 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.26642805701486 9.90382388399742 8.589180372735528 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.56347294469591 2.059457452184798 4.572311105939872 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.415472130875759 1.617495300132486 9.616022004971658 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.49390593866752 1.136998848073022 6.961304453959725 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.2235254989072225 1.625151029487585 9.546883918665438 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.946609795856815 2.050925646591566 4.670960944703206 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.514223230265713 1.800828832624243 12.25345454311988 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.118520678560523 -0.7104123628533541 8.612425524495922 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.439914823709955 1.807358731619519 12.11944114682304 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -10.27641008445024 8.193388624654853 8.305071984883588 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.317002591657124 6.321062970675269 10.88567774669856 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -13.85471229025288 4.59629590952868 8.602965920423204 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -12.08950976770105 6.451153546463775 5.90108650834373 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.527711192516648 6.44779615237091 5.852041995656935 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.29585321011361 3.319396846661066 7.543258238227965 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.28409903371718 4.603016185864257 11.87016924299644 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -12.1169129036149 6.331744569849267 10.98790444703515 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.33072777088622 6.685326672437057 5.082806314107386 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -10.27660989618451 0.9981004134666049 8.319629076508175 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.317090797382694 2.88140017716141 10.89273515148428 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -12.08961577213337 2.730117243520192 5.9088197177071 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.12813990994572 0.9986712173177772 8.321674019787482 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.965460195257361 2.868890933814567 11.00018773585384 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.6179683001571402 2.736230137283926 5.862112443311855 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.944389459089565 2.73311218932731 5.915197313730013 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.8338286523813172 2.879358235676159 10.89549062826799 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.527886209140341 2.733367079411318 5.859785282606435 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -12.11712008168173 2.870711744829874 10.99486204191736 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.20742771036482 2.978083856150495 11.36554205016427 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.33075132107036 2.49244700006918 5.091482100272951 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.64179144438547 1.135648993531482 6.957760571288444 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.0916311927425 2.046818240631912 4.664840357043007 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.958266364887729 1.139580399384323 6.906631526532629 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.56349345769844 1.616732306892889 9.612623621262678 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.37547567137404 3.239386020377574 7.197194181939242 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -6.548539122465817 4.596121138034495 8.455164112122851 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.728020168605837 3.229739004547525 9.900898414793195 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.7340579969523 3.2125414107943 10.06295524822756 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.66572151892702 1.803753409356996 12.24964095077363 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.103765621659234 4.603037329427225 11.77641856692431 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.97548347183587 4.589590481183497 5.38575182768291 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.924621593702112 1.62542935030453 9.543822110096102 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.09152855606775 7.129517011342772 4.654346151909035 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.66547373675104 7.403768014254926 12.23813457678185 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.29573841280623 5.868949011839548 7.538098357250769 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P -10.28739143499134 4.596111077837034 8.429580521390243 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.20723518783309 6.225607212949115 11.35898697249018 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.581569042754876 2.05604213474019 4.571074239967595 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.685585802154598 4.589575810457138 5.340479225064303 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.924462645703212 7.57124669175654 9.531885236145978 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.198365788672918 3.23989234989172 7.087737346211298 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.6009459511731 4.597953519829618 9.301538477073475 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.949095333057354 3.241283087021407 7.089420381088236 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.586327072122797 3.21326180761872 10.0710591165074 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.64158614024493 8.049988193353997 6.943624327979764 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H 7.09245408535059 4.596362592086619 9.388954239066187 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H -16.13243228034497 4.595190052685544 7.50066939406997 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -10</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 34 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 35 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 32 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 30 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 107 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 8 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 106 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 42 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 96 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 26 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 28 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 34 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 40 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         14 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         16 73 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         18 74 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         25 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         26 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         27 86 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         33 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 70 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 86 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         40 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         43 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         45 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         45 86 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         47 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         47 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         48 73 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         48 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 74 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 74 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 74 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         53 73 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         54 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         54 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         56 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         57 73 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         59 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 95 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 97 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 85 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 88 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 93 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         65 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         65 96 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         66 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         66 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 94 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 97 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 102 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 83 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 84 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 87 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 80 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 82 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 85 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 80 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 83 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 98 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 84 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 88 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 89 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 102 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 87 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         95 96 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         96 102 2.0</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">    SpinPolarization 4</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">    Unrestricted Yes</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">    NumericalQuality Good</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">-10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:spinPolarization">4</scalar>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="1.128277"
                        y3="8.194000"
                        z3="8.313215"/>
                  <atom elementType="W"
                        id="a2"
                        x3="2.965474"
                        y3="6.330137"
                        z3="10.996227"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-0.617915"
                        y3="6.450770"
                        z3="5.857670"/>
                  <atom elementType="W"
                        id="a4"
                        x3="2.944409"
                        y3="6.453793"
                        z3="5.910610"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.833735"
                        y3="6.319124"
                        z3="10.891587"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-15.928254"
                        y3="4.596124"
                        z3="8.459348"/>
                  <atom elementType="O"
                        id="a7"
                        x3="6.782266"
                        y3="4.596124"
                        z3="8.459348"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="4.708333"
                        y3="4.596697"
                        z3="8.615390"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-8.989330"
                        y3="4.597867"
                        z3="9.296004"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.598122"
                        y3="4.596350"
                        z3="8.457196"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-8.958146"
                        y3="8.045910"
                        z3="6.892381"/>
                  <atom elementType="P"
                        id="a12"
                        x3="1.137516"
                        y3="4.596527"
                        z3="8.434854"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.057577"
                        y3="6.223354"
                        z3="11.366836"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.046095"
                        y3="4.600242"
                        z3="11.780993"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.184497"
                        y3="6.689154"
                        z3="5.090962"/>
                  <atom elementType="O"
                        id="a16"
                        x3="3.133906"
                        y3="4.600610"
                        z3="11.876302"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-0.189543"
                        y3="8.048297"
                        z3="6.900970"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-0.461618"
                        y3="4.592841"
                        z3="5.344338"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-1.563600"
                        y3="7.124679"
                        z3="4.566675"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.415439"
                        y3="7.578232"
                        z3="9.608985"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.493865"
                        y3="8.052387"
                        z3="6.953020"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.223298"
                        y3="7.570284"
                        z3="9.539973"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-1.949043"
                        y3="5.948475"
                        z3="7.086393"/>
                  <atom elementType="O"
                        id="a24"
                        x3="4.586346"
                        y3="5.983560"
                        z3="10.067684"/>
                  <atom elementType="O"
                        id="a25"
                        x3="2.829201"
                        y3="4.592801"
                        z3="5.393277"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.160802"
                        y3="4.597397"
                        z3="9.300782"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.577769"
                        y3="4.595743"
                        z3="8.052046"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.450995"
                        y3="4.597567"
                        z3="9.306508"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-2.421237"
                        y3="5.967585"
                        z3="9.899846"/>
                  <atom elementType="O"
                        id="a30"
                        x3="3.946639"
                        y3="7.132893"
                        z3="4.664739"/>
                  <atom elementType="O"
                        id="a31"
                        x3="4.228452"
                        y3="5.950485"
                        z3="7.201443"/>
                  <atom elementType="O"
                        id="a32"
                        x3="3.514566"
                        y3="7.401311"
                        z3="12.246949"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-2.421110"
                        y3="3.228123"
                        z3="9.902772"/>
                  <atom elementType="O"
                        id="a34"
                        x3="1.146683"
                        y3="5.870320"
                        z3="7.544411"/>
                  <atom elementType="O"
                        id="a35"
                        x3="1.118779"
                        y3="9.903718"
                        z3="8.599900"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-7.581676"
                        y3="7.119926"
                        z3="4.560372"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-1.440029"
                        y3="7.393763"
                        z3="12.113066"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-7.710905"
                        y3="1.810255"
                        z3="12.117769"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-7.198085"
                        y3="5.946873"
                        z3="7.081991"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.146684"
                        y3="3.320832"
                        z3="7.547546"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-11.563310"
                        y3="7.579885"
                        z3="9.600791"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.228335"
                        y3="3.239532"
                        z3="7.204754"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-7.710778"
                        y3="7.397235"
                        z3="12.105984"/>
                  <atom elementType="O"
                        id="a44"
                        x3="-13.375529"
                        y3="5.947566"
                        z3="7.191366"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-6.728048"
                        y3="5.968533"
                        z3="9.895072"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-10.266764"
                        y3="-0.710871"
                        z3="8.610900"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-13.733953"
                        y3="5.986180"
                        z3="10.057208"/>
                  <atom elementType="O"
                        id="a48"
                        x3="1.057606"
                        y3="2.976384"
                        z3="11.370171"/>
                  <atom elementType="O"
                        id="a49"
                        x3="1.184454"
                        y3="2.496070"
                        z3="5.096215"/>
                  <atom elementType="O"
                        id="a50"
                        x3="-0.189824"
                        y3="1.141282"
                        z3="6.909052"/>
                  <atom elementType="O"
                        id="a51"
                        x3="-10.266482"
                        y3="9.903876"
                        z3="8.589226"/>
                  <atom elementType="O"
                        id="a52"
                        x3="-1.563481"
                        y3="2.059468"
                        z3="4.572335"/>
                  <atom elementType="O"
                        id="a53"
                        x3="2.415485"
                        y3="1.617504"
                        z3="9.616073"/>
                  <atom elementType="O"
                        id="a54"
                        x3="2.493919"
                        y3="1.137005"
                        z3="6.961341"/>
                  <atom elementType="O"
                        id="a55"
                        x3="-0.223527"
                        y3="1.625160"
                        z3="9.546934"/>
                  <atom elementType="O"
                        id="a56"
                        x3="3.946631"
                        y3="2.050936"
                        z3="4.670986"/>
                  <atom elementType="O"
                        id="a57"
                        x3="3.514242"
                        y3="1.800838"
                        z3="12.253519"/>
                  <atom elementType="O"
                        id="a58"
                        x3="1.118527"
                        y3="-0.710416"
                        z3="8.612471"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-1.439922"
                        y3="1.807368"
                        z3="12.119505"/>
                  <atom elementType="W"
                        id="a60"
                        x3="-10.276464"
                        y3="8.193432"
                        z3="8.305116"/>
                  <atom elementType="W"
                        id="a61"
                        x3="-8.317046"
                        y3="6.321096"
                        z3="10.885735"/>
                  <atom elementType="Tc"
                        id="a62"
                        x3="-13.854785"
                        y3="4.596320"
                        z3="8.603011"/>
                  <atom elementType="W"
                        id="a63"
                        x3="-12.089573"
                        y3="6.451188"
                        z3="5.901118"/>
                  <atom elementType="W"
                        id="a64"
                        x3="-8.527756"
                        y3="6.447830"
                        z3="5.852073"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-10.295907"
                        y3="3.319414"
                        z3="7.543298"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-12.284164"
                        y3="4.603040"
                        z3="11.870232"/>
                  <atom elementType="W"
                        id="a67"
                        x3="-12.116977"
                        y3="6.331778"
                        z3="10.987962"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-10.330782"
                        y3="6.685362"
                        z3="5.082833"/>
                  <atom elementType="W"
                        id="a69"
                        x3="-10.276664"
                        y3="0.998106"
                        z3="8.319673"/>
                  <atom elementType="W"
                        id="a70"
                        x3="-8.317135"
                        y3="2.881415"
                        z3="10.892793"/>
                  <atom elementType="W"
                        id="a71"
                        x3="-12.089679"
                        y3="2.730132"
                        z3="5.908851"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.128146"
                        y3="0.998676"
                        z3="8.321718"/>
                  <atom elementType="W"
                        id="a73"
                        x3="2.965476"
                        y3="2.868906"
                        z3="11.000246"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-0.617972"
                        y3="2.736245"
                        z3="5.862143"/>
                  <atom elementType="W"
                        id="a75"
                        x3="2.944405"
                        y3="2.733127"
                        z3="5.915228"/>
                  <atom elementType="W"
                        id="a76"
                        x3="-0.833833"
                        y3="2.879373"
                        z3="10.895548"/>
                  <atom elementType="W"
                        id="a77"
                        x3="-8.527931"
                        y3="2.733381"
                        z3="5.859816"/>
                  <atom elementType="W"
                        id="a78"
                        x3="-12.117184"
                        y3="2.870727"
                        z3="10.994920"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-10.207482"
                        y3="2.978100"
                        z3="11.365602"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-10.330806"
                        y3="2.492460"
                        z3="5.091509"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-11.641853"
                        y3="1.135655"
                        z3="6.957797"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-13.091700"
                        y3="2.046829"
                        z3="4.664865"/>
                  <atom elementType="O"
                        id="a83"
                        x3="-8.958314"
                        y3="1.139586"
                        z3="6.906668"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-11.563554"
                        y3="1.616741"
                        z3="9.612674"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-13.375546"
                        y3="3.239403"
                        z3="7.197232"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-6.548574"
                        y3="4.596145"
                        z3="8.455209"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-6.728056"
                        y3="3.229756"
                        z3="9.900951"/>
                  <atom elementType="O"
                        id="a88"
                        x3="-13.734130"
                        y3="3.212558"
                        z3="10.063008"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-12.665788"
                        y3="1.803763"
                        z3="12.249706"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-8.103808"
                        y3="4.603062"
                        z3="11.776481"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-11.975547"
                        y3="4.589615"
                        z3="5.385780"/>
                  <atom elementType="O"
                        id="a92"
                        x3="-8.924669"
                        y3="1.625438"
                        z3="9.543872"/>
                  <atom elementType="O"
                        id="a93"
                        x3="-13.091598"
                        y3="7.129555"
                        z3="4.654371"/>
                  <atom elementType="O"
                        id="a94"
                        x3="-12.665540"
                        y3="7.403807"
                        z3="12.238199"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-10.295793"
                        y3="5.868980"
                        z3="7.538138"/>
                  <atom elementType="P"
                        id="a96"
                        x3="-10.287446"
                        y3="4.596135"
                        z3="8.429625"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-10.207289"
                        y3="6.225640"
                        z3="11.359047"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-7.581609"
                        y3="2.056053"
                        z3="4.571098"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-8.685632"
                        y3="4.589600"
                        z3="5.340507"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-8.924510"
                        y3="7.571287"
                        z3="9.531935"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-7.198404"
                        y3="3.239909"
                        z3="7.087775"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-11.601007"
                        y3="4.597978"
                        z3="9.301588"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-1.949106"
                        y3="3.241300"
                        z3="7.089458"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.586351"
                        y3="3.213279"
                        z3="10.071112"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-11.641647"
                        y3="8.050031"
                        z3="6.943661"/>
                  <atom elementType="H"
                        id="a106"
                        x3="7.092491"
                        y3="4.596387"
                        z3="9.389004"/>
                  <atom elementType="H"
                        id="a107"
                        x3="-16.132517"
                        y3="4.595214"
                        z3="7.500709"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a17 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a21 a1" order="S"/>
                  <bond atomRefs2="a22 a1" order="S"/>
                  <bond atomRefs2="a34 a1" order="S"/>
                  <bond atomRefs2="a35 a1" order="S"/>
                  <bond atomRefs2="a13 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a20 a2" order="S"/>
                  <bond atomRefs2="a24 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a15 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a23 a3" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a21 a4" order="S"/>
                  <bond atomRefs2="a25 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a31 a4" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a22 a5" order="S"/>
                  <bond atomRefs2="a26 a5" order="S"/>
                  <bond atomRefs2="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="a62 a6" order="S"/>
                  <bond atomRefs2="a107 a6" order="S"/>
                  <bond atomRefs2="a8 a7" order="S"/>
                  <bond atomRefs2="a106 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a42 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a96 a9" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a27 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a33 a10" order="S"/>
                  <bond atomRefs2="a103 a10" order="S"/>
                  <bond atomRefs2="a60 a11" order="S"/>
                  <bond atomRefs2="a64 a11" order="S"/>
                  <bond atomRefs2="a26 a12" order="S"/>
                  <bond atomRefs2="a28 a12" order="S"/>
                  <bond atomRefs2="a34 a12" order="S"/>
                  <bond atomRefs2="a40 a12" order="S"/>
                  <bond atomRefs2="a76 a14" order="S"/>
                  <bond atomRefs2="a73 a16" order="S"/>
                  <bond atomRefs2="a74 a18" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a76 a26" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a64 a36" order="S"/>
                  <bond atomRefs2="a70 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a86 a39" order="S"/>
                  <bond atomRefs2="a72 a40" order="S"/>
                  <bond atomRefs2="a60 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a75 a42" order="S"/>
                  <bond atomRefs2="a61 a43" order="S"/>
                  <bond atomRefs2="a62 a44" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a61 a45" order="S"/>
                  <bond atomRefs2="a86 a45" order="S"/>
                  <bond atomRefs2="a69 a46" order="S"/>
                  <bond atomRefs2="a62 a47" order="S"/>
                  <bond atomRefs2="a67 a47" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a76 a48" order="S"/>
                  <bond atomRefs2="a74 a49" order="S"/>
                  <bond atomRefs2="a75 a49" order="S"/>
                  <bond atomRefs2="a72 a50" order="S"/>
                  <bond atomRefs2="a74 a50" order="S"/>
                  <bond atomRefs2="a60 a51" order="S"/>
                  <bond atomRefs2="a74 a52" order="S"/>
                  <bond atomRefs2="a72 a53" order="S"/>
                  <bond atomRefs2="a73 a53" order="S"/>
                  <bond atomRefs2="a72 a54" order="S"/>
                  <bond atomRefs2="a75 a54" order="S"/>
                  <bond atomRefs2="a72 a55" order="S"/>
                  <bond atomRefs2="a76 a55" order="S"/>
                  <bond atomRefs2="a75 a56" order="S"/>
                  <bond atomRefs2="a73 a57" order="S"/>
                  <bond atomRefs2="a72 a58" order="S"/>
                  <bond atomRefs2="a76 a59" order="S"/>
                  <bond atomRefs2="a95 a60" order="S"/>
                  <bond atomRefs2="a100 a60" order="S"/>
                  <bond atomRefs2="a105 a60" order="S"/>
                  <bond atomRefs2="a90 a61" order="S"/>
                  <bond atomRefs2="a97 a61" order="S"/>
                  <bond atomRefs2="a100 a61" order="S"/>
                  <bond atomRefs2="a85 a62" order="S"/>
                  <bond atomRefs2="a88 a62" order="S"/>
                  <bond atomRefs2="a68 a63" order="S"/>
                  <bond atomRefs2="a91 a63" order="S"/>
                  <bond atomRefs2="a93 a63" order="S"/>
                  <bond atomRefs2="a105 a63" order="S"/>
                  <bond atomRefs2="a68 a64" order="S"/>
                  <bond atomRefs2="a99 a64" order="S"/>
                  <bond atomRefs2="a69 a65" order="S"/>
                  <bond atomRefs2="a96 a65" order="S"/>
                  <bond atomRefs2="a67 a66" order="S"/>
                  <bond atomRefs2="a78 a66" order="S"/>
                  <bond atomRefs2="a94 a67" order="S"/>
                  <bond atomRefs2="a97 a67" order="S"/>
                  <bond atomRefs2="a102 a67" order="S"/>
                  <bond atomRefs2="a81 a69" order="S"/>
                  <bond atomRefs2="a83 a69" order="S"/>
                  <bond atomRefs2="a84 a69" order="S"/>
                  <bond atomRefs2="a92 a69" order="S"/>
                  <bond atomRefs2="a79 a70" order="S"/>
                  <bond atomRefs2="a87 a70" order="S"/>
                  <bond atomRefs2="a90 a70" order="S"/>
                  <bond atomRefs2="a92 a70" order="S"/>
                  <bond atomRefs2="a80 a71" order="S"/>
                  <bond atomRefs2="a81 a71" order="S"/>
                  <bond atomRefs2="a82 a71" order="S"/>
                  <bond atomRefs2="a85 a71" order="S"/>
                  <bond atomRefs2="a91 a71" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a80 a77" order="S"/>
                  <bond atomRefs2="a83 a77" order="S"/>
                  <bond atomRefs2="a98 a77" order="S"/>
                  <bond atomRefs2="a99 a77" order="S"/>
                  <bond atomRefs2="a101 a77" order="S"/>
                  <bond atomRefs2="a79 a78" order="S"/>
                  <bond atomRefs2="a84 a78" order="S"/>
                  <bond atomRefs2="a88 a78" order="S"/>
                  <bond atomRefs2="a89 a78" order="S"/>
                  <bond atomRefs2="a102 a78" order="S"/>
                  <bond atomRefs2="a87 a86" order="S"/>
                  <bond atomRefs2="a101 a86" order="S"/>
                  <bond atomRefs2="a96 a95" order="S"/>
                  <bond atomRefs2="a102 a96" order="S"/>
               </bondArray>
               <formula concise="H2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5398.580018</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2O4P.2H2O.69O.4Tc.20W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;4*+1/p-2/rH2O79P2Tc4W20/c1-80-25-100(19)58-88(7)34-83(4)35-89(8,47-88)51-91(10)37-84(36-90(9,50-88,52-91)60-100,38-96(15,66-100)55-97(16,39-84)67-101(20,26-80,59-89,61-91)73-103(22,43-83,71-97)76-102(21,42-83,70-96,72-100)78(80)103)29-85-40-92(11)48-86(5)30-82(3)31-87(6,46-86)49-93(12,41-85,53-92)63-99(18,57-87)28-81(2)27-98(17,56-86,62-92)64-94(13,32-82)54-95(14,33-82,65-99)69-105(24,45-85,75-99)77-104(23,44-85,68-94,74-98)79(81)105/h3-4H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9,65,95,102,96;26,28,34,40,12;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;36;37;38;39;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;66;68;79;80;81;82;83;84;85;87;88;89;90;91;92;93;94;97;98;99;100;101;103;104;105;10;86;8;62;2;3;4;5;61;63;64;67;70;71;73;74;75;76;77;78;1;60;69;72/E:2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2-1,3-1,4.1,5.4;1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:107nWWWWWOOTcO1TcOP4OOOOOOO1OOOOOOO3OO1OO1OO1OOO1O1O1O1OOOOO1OOO1OOOOO1O1OOOO1O1O1O1WWTcWWOOWOWWWWWWWWWWOOOO1OOOTcOOO1OOOO1O1OP4OO1OOOO3OOOHH/rB:;;;;;;s7;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s5s12;s10;s12;s5s10;s4;s4s8;s2;s10;s1s12;s1;;s5;;;s12;;s8;;;;;;;;;;;;;;;;;;s11s41s51;s43s45;s6s44s47;s44;s11s36s39;;;s41s47s66;s63s64;s46s65;s38;;s40s50s53s54s55s58;s16s48s53s57;s18s49s50s52;s25s42s49s54s56;s14s26s33s48s55s59;;s66;s70s78;s71s77;s69s71;s71;s69s77;s69s78;s62s71;s27s39s45;s70s86;s62s78;s78;s61s70;s63s71;s69s70;s63;s67;s60;s9s65s95;s61s67;s77;s64s77;s60s61;s77s86;s67s78s96;s10s74;s8s73;s60s63;s7;s6;/rC:1.1283,8.194,8.3132;2.9655,6.3301,10.9962;-.6179,6.4508,5.8577;2.9444,6.4538,5.9106;-.8337,6.3191,10.8916;-15.9283,4.5961,8.4593;6.7823,4.5961,8.4593;4.7083,4.5967,8.6154;-8.9893,4.5979,9.296;-2.5981,4.5964,8.4572;-8.9581,8.0459,6.8924;1.1375,4.5965,8.4349;1.0576,6.2234,11.3668;-1.0461,4.6002,11.781;1.1845,6.6892,5.091;3.1339,4.6006,11.8763;-.1895,8.0483,6.901;-.4616,4.5928,5.3443;-1.5636,7.1247,4.5667;2.4154,7.5782,9.609;2.4939,8.0524,6.953;-.2233,7.5703,9.54;-1.949,5.9485,7.0864;4.5863,5.9836,10.0677;2.8292,4.5928,5.3933;-.1608,4.5974,9.3008;-4.5778,4.5957,8.052;2.451,4.5976,9.3065;-2.4212,5.9676,9.8998;3.9466,7.1329,4.6647;4.2285,5.9505,7.2014;3.5146,7.4013,12.2469;-2.4211,3.2281,9.9028;1.1467,5.8703,7.5444;1.1188,9.9037,8.5999;-7.5817,7.1199,4.5604;-1.44,7.3938,12.1131;-7.7109,1.8103,12.1178;-7.1981,5.9469,7.082;1.1467,3.3208,7.5475;-11.5633,7.5799,9.6008;4.2283,3.2395,7.2048;-7.7108,7.3972,12.106;-13.3755,5.9476,7.1914;-6.728,5.9685,9.8951;-10.2668,-.7109,8.6109;-13.734,5.9862,10.0572;1.0576,2.9764,11.3702;1.1845,2.4961,5.0962;-.1898,1.1413,6.9091;-10.2665,9.9039,8.5892;-1.5635,2.0595,4.5723;2.4155,1.6175,9.6161;2.4939,1.137,6.9613;-.2235,1.6252,9.5469;3.9466,2.0509,4.671;3.5142,1.8008,12.2535;1.1185,-.7104,8.6125;-1.4399,1.8074,12.1195;-10.2765,8.1934,8.3051;-8.317,6.3211,10.8857;-13.8548,4.5963,8.603;-12.0896,6.4512,5.9011;-8.5278,6.4478,5.8521;-10.2959,3.3194,7.5433;-12.2842,4.603,11.8702;-12.117,6.3318,10.988;-10.3308,6.6854,5.0828;-10.2767,.9981,8.3197;-8.3171,2.8814,10.8928;-12.0897,2.7301,5.9089;1.1281,.9987,8.3217;2.9655,2.8689,11.0002;-.618,2.7362,5.8621;2.9444,2.7331,5.9152;-.8338,2.8794,10.8955;-8.5279,2.7334,5.8598;-12.1172,2.8707,10.9949;-10.2075,2.9781,11.3656;-10.3308,2.4925,5.0915;-11.6419,1.1357,6.9578;-13.0917,2.0468,4.6649;-8.9583,1.1396,6.9067;-11.5636,1.6167,9.6127;-13.3755,3.2394,7.1972;-6.5486,4.5961,8.4552;-6.7281,3.2298,9.901;-13.7341,3.2126,10.063;-12.6658,1.8038,12.2497;-8.1038,4.6031,11.7765;-11.9755,4.5896,5.3858;-8.9247,1.6254,9.5439;-13.0916,7.1296,4.6544;-12.6655,7.4038,12.2382;-10.2958,5.869,7.5381;-10.2874,4.5961,8.4296;-10.2073,6.2256,11.359;-7.5816,2.0561,4.5711;-8.6856,4.5896,5.3405;-8.9245,7.5713,9.5319;-7.1984,3.2399,7.0878;-11.601,4.598,9.3016;-1.9491,3.2413,7.0895;4.5864,3.2133,10.0711;-11.6416,8.05,6.9437;7.0925,4.5964,9.389;-16.1325,4.5952,7.5007;/R:/0/N:9,28,7,6,30,56,82,93,98,36,19,52,32,57,38,43,35,58,46,51,89,94,37,59,65,95,34,40,27,31,42,24,104,85,44,101,39,87,45,23,103,88,47,29,33,25,91,15,49,80,68,99,18,16,90,21,54,81,105,83,11,17,50,20,53,92,100,13,48,79,97,84,41,22,55,66,14,102,26,96,12,8,62,86,10,4,75,71,63,77,64,3,74,2,73,70,61,1,72,69,60,78,67,5,76/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(30,31)(32,33)(34,35)(36,37)(38,39)(40,41)(42,43)(44,45)(48,49)(50,51)(56,57)(58,59)(60,61)(62,63)(64,65)(66,67)(68,69)(70,71)(72,73)(74,75)(86,87)(88,89)(90,91)(92,93)(94,95)(96,97)(98,99)(100,101)(102,103)(104,105)/CRV:1.1,2.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,23.1,24.1,78.3,79.3,80.4,81.4,82.5,83.5,84.5,85.5</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>173187.65155100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>2896.68503100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>176869.08511519</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges.spin" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spin">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="107">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="107">2.634622 2.620658 2.621017 2.618627 2.626142 -0.733101 -0.698971 2.693142 -1.069993 2.725822 -0.985880 2.046245 -1.008359 -0.988694 -0.998647 -0.991079 -0.986102 -1.007780 -0.840962 -1.003901 -0.987089 -1.002035 -1.109234 -1.090089 -1.007906 -1.070493 -1.248783 -1.095699 -1.101953 -0.844355 -1.112087 -0.838500 -1.101925 -1.056805 -0.828891 -0.840468 -0.836916 -0.836935 -1.108489 -1.056795 -1.003262 -1.111961 -0.836847 -1.117678 -1.102294 -0.828407 -1.096338 -1.008385 -0.998657 -0.986104 -0.828438 -0.841066 -1.003888 -0.987068 -1.001970 -0.844334 -0.838494 -0.828825 -0.836989 2.634389 2.626103 2.729128 2.621375 2.620783 -1.056852 -0.991811 2.621034 -0.998005 2.634465 2.626046 2.621370 2.634552 2.620689 2.621044 2.618666 2.626175 2.620796 2.620958 -1.008419 -0.997985 -0.986439 -0.842009 -0.985872 -1.003288 -1.117807 2.728524 -1.102260 -1.096274 -0.837664 -0.988608 -1.008344 -1.001908 -0.842080 -0.837636 -1.056785 2.046879 -1.008427 -0.840411 -1.007655 -1.001839 -1.108581 -1.094886 -1.109243 -1.090154 -0.986464 0.070797 0.067578</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="107">2.029216 2.023378 2.031190 2.031190 2.028099 -0.879919 -0.865958 1.774749 -0.792342 1.874095 -0.797919 1.609510 -0.744832 -0.804072 -0.810340 -0.803726 -0.798288 -0.749865 -0.729899 -0.755097 -0.800544 -0.749666 -0.850024 -0.849386 -0.749467 -0.792662 -0.891907 -0.800514 -0.866579 -0.733271 -0.840796 -0.724922 -0.866588 -0.769093 -0.719296 -0.729241 -0.723981 -0.724057 -0.849655 -0.769154 -0.752245 -0.840651 -0.723965 -0.838620 -0.866548 -0.718682 -0.865014 -0.744837 -0.810313 -0.798228 -0.718699 -0.730021 -0.755092 -0.800501 -0.749532 -0.733242 -0.724937 -0.719218 -0.724053 2.028675 2.027829 1.806265 2.028944 2.030797 -0.771162 -0.803683 2.028944 -0.810293 2.028903 2.027651 2.028970 2.029127 2.023485 2.031082 2.031166 2.028079 2.030837 2.028802 -0.743816 -0.810277 -0.801176 -0.730209 -0.797954 -0.752316 -0.838680 1.875709 -0.866567 -0.864903 -0.723204 -0.804008 -0.751067 -0.749648 -0.730289 -0.723197 -0.771137 1.608816 -0.743852 -0.729180 -0.749876 -0.749513 -0.849722 -0.795768 -0.849983 -0.849462 -0.801212 0.402200 0.381905</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="107">2.133220 2.134333 2.138056 2.140537 2.131121 -0.878476 -0.880612 2.039905 -0.850723 1.995240 -0.840004 1.573795 -0.834703 -0.852583 -0.858879 -0.847357 -0.840597 -0.845700 -0.690772 -0.833747 -0.837280 -0.833772 -0.897612 -0.933932 -0.847499 -0.850756 -0.984448 -0.848592 -0.879076 -0.692948 -0.932268 -0.687287 -0.879054 -0.836219 -0.680252 -0.690166 -0.688933 -0.689035 -0.897104 -0.836337 -0.833041 -0.932118 -0.688919 -0.954486 -0.879209 -0.679776 -0.917926 -0.834749 -0.858876 -0.840560 -0.679793 -0.690880 -0.833716 -0.837235 -0.833564 -0.692916 -0.687313 -0.680180 -0.689026 2.132463 2.130743 2.055366 2.141969 2.138068 -0.834495 -0.853982 2.135348 -0.857934 2.132677 2.130579 2.141983 2.133122 2.134477 2.137949 2.140510 2.131078 2.138122 2.135188 -0.835985 -0.857907 -0.841014 -0.688370 -0.840006 -0.833069 -0.954715 1.997019 -0.879157 -0.917663 -0.684731 -0.852710 -0.836789 -0.833861 -0.688457 -0.684706 -0.834349 1.574918 -0.836008 -0.690106 -0.844793 -0.833728 -0.897282 -0.847935 -0.897537 -0.934062 -0.841086 0.420971 0.384685</array>
                  </list>
               </module>
               <module cmlx:templateRef="spin.density" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spinDensity">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="107">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="107">0.005226 0.004192 0.008080 0.004561 0.007821 0.092921 -0.025867 0.745186 -0.001869 2.108950 0.000155 -0.000061 -0.000297 0.026466 0.003108 0.025484 0.002182 0.022346 0.013285 0.002321 0.002437 0.002429 0.109058 0.054372 0.024029 0.001205 -0.004888 0.001474 0.127072 -0.002011 0.046339 -0.001998 0.127014 -0.000004 -0.000229 -0.013040 0.012252 -0.012216 -0.107552 -0.000004 -0.000396 0.046288 -0.012214 0.127488 -0.127009 -0.000004 0.119735 -0.000296 0.003107 0.002184 -0.000004 0.013296 0.002318 0.002437 0.002424 -0.002010 -0.001996 -0.000229 0.012250 0.000170 -0.008402 2.239188 0.008704 -0.009025 0.000155 0.023416 0.009818 -0.001330 0.000171 -0.008391 0.008734 0.005230 0.004193 0.008090 0.004571 0.007797 -0.009051 0.009824 0.000144 -0.001333 -0.000069 0.017074 0.000149 -0.000397 0.127607 -2.105063 -0.126939 0.119687 0.009625 -0.026504 0.022319 0.000081 0.017068 0.009625 0.000156 0.000587 0.000143 -0.013030 -0.021267 0.000076 -0.107615 0.013378 0.109061 0.054371 -0.000077 -0.000418 0.010402</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="107">0.004923 0.006427 0.011767 0.006340 0.012147 0.183666 0.005023 0.575561 -0.024769 1.655202 -0.001768 0.001583 -0.001040 0.028214 0.002439 0.024628 0.003812 0.023980 0.015375 0.004092 0.003408 0.005551 0.173396 0.074065 0.022781 0.022831 -0.004664 0.012444 0.190601 -0.001021 0.071514 -0.001309 0.190529 0.001891 0.000149 -0.015093 0.013597 -0.013606 -0.171860 0.001891 0.004199 0.071469 -0.013604 0.193988 -0.190327 0.000024 0.196183 -0.001039 0.002438 0.003813 0.000024 0.015386 0.004089 0.003408 0.005544 -0.001021 -0.001307 0.000149 0.013592 0.000300 -0.012862 1.729085 0.012826 -0.012519 0.000920 0.027354 0.015719 -0.001114 0.000302 -0.012852 0.012857 0.004926 0.006428 0.011775 0.006344 0.012123 -0.012545 0.015725 0.000207 -0.001117 0.002343 0.019228 -0.001776 0.004199 0.194130 -1.651841 -0.190281 0.196150 0.011175 -0.028411 0.024177 -0.003547 0.019218 0.011176 0.000920 0.001099 0.000206 -0.015087 -0.022844 -0.003549 -0.171953 0.050050 0.173403 0.074059 0.002332 0.018779 0.061061</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="107">0.005283 0.005336 0.008346 0.003869 0.009300 0.175699 -0.000572 0.581096 -0.016744 1.671104 -0.002716 -0.002808 -0.001990 0.026895 0.001024 0.025229 0.004816 0.022808 0.013907 0.006222 0.004652 0.008019 0.182967 0.079209 0.022898 0.014464 -0.005035 0.006926 0.199733 -0.002318 0.080183 -0.002402 0.199646 -0.000800 0.000207 -0.013713 0.011882 -0.012024 -0.181191 -0.000799 0.006289 0.080141 -0.012019 0.207584 -0.199572 0.000058 0.219149 -0.001988 0.001022 0.004822 0.000058 0.013915 0.006219 0.004654 0.008007 -0.002317 -0.002399 0.000207 0.011880 0.000566 -0.010252 1.719334 0.009690 -0.009211 0.002628 0.022437 0.010188 -0.000767 0.000568 -0.010243 0.009710 0.005287 0.005336 0.008351 0.003876 0.009280 -0.009230 0.010192 -0.000549 -0.000772 0.003749 0.017337 -0.002731 0.006275 0.207784 -1.667664 -0.199520 0.219107 0.008635 -0.027088 0.023121 -0.005814 0.017334 0.008634 0.002627 0.002550 -0.000550 -0.013702 -0.021252 -0.005831 -0.181332 0.036445 0.182968 0.079197 0.003732 0.009038 0.046211</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-822.090640</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">850.066004</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">-15.423279</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-1130.995317</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-88.796455</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-1207.239696</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="107">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="107">2.72431794 2.66726655 2.70019866 2.69080541 2.68133159 -0.85548495 -0.81813550 2.17796131 -1.10238046 2.23443130 -1.05265429 2.64369688 -1.04540236 -1.04838281 -1.05995496 -1.04943203 -1.05275291 -1.04771453 -0.84539614 -1.04489246 -1.05266271 -1.04420512 -1.04322580 -1.02154458 -1.04795958 -1.10308124 -1.02785282 -1.12497161 -1.03666962 -0.84792115 -1.02635378 -0.84527832 -1.03670868 -1.12140851 -0.83757890 -0.84489358 -0.84453915 -0.84448661 -1.04285372 -1.12132457 -1.04437588 -1.02637482 -0.84448524 -1.04285742 -1.03693340 -0.83712223 -1.03222613 -1.04543085 -1.05995639 -1.05274957 -0.83706161 -0.84545771 -1.04486679 -1.05263728 -1.04414242 -0.84790054 -0.84532678 -0.83749751 -0.84459645 2.72419827 2.68186604 2.26285427 2.69575339 2.69992219 -1.12041263 -1.04853894 2.66740211 -1.05902977 2.72445280 2.68163730 2.69578560 2.72404944 2.66741858 2.70027951 2.69092616 2.68137910 2.70002147 2.66710171 -1.04568577 -1.05901265 -1.05216150 -0.84567961 -1.05268123 -1.04437708 -1.04287966 2.23886442 -1.03692971 -1.03220090 -0.84495001 -1.04838377 -1.04710053 -1.04393125 -0.84573343 -0.84498203 -1.12035685 2.63516975 -1.04569650 -0.84486014 -1.04777695 -1.04392485 -1.04290802 -1.13127578 -1.04324750 -1.02156958 -1.05213629 0.31096657 0.29846708</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="107">0.00612592 0.00506914 0.00969231 0.00535275 0.00902831 0.01391549 -0.04029552 0.88330405 0.00611896 2.45499650 0.00150728 0.00346535 0.00055694 0.02737264 0.00414146 0.02605300 0.00066293 0.02231822 0.01296295 0.00084832 0.00124644 0.00082875 0.04729105 0.02344683 0.02410315 -0.00698973 -0.00397825 -0.00201627 0.05848997 -0.00237674 0.01641779 -0.00239476 0.05844292 -0.00012150 -0.00048476 -0.01265756 0.01237785 -0.01231508 -0.04588752 -0.00012200 -0.00167987 0.01634833 -0.01231098 0.05425360 -0.05848772 -0.00001726 0.04828062 0.00055913 0.00414059 0.00066315 -0.00001697 0.01297575 0.00084500 0.00124637 0.00082619 -0.00237560 -0.00239226 -0.00048517 0.01237676 0.00031363 -0.00999836 2.62766003 0.01051752 -0.01129370 0.00015235 0.02441073 0.01167499 -0.00135321 0.00031545 -0.00997977 0.01056204 0.00613027 0.00506813 0.00970228 0.00536676 0.00899083 -0.01133329 0.01167918 0.00007558 -0.00135596 -0.00142170 0.01722600 0.00150364 -0.00168075 0.05433762 -2.45160116 -0.05843017 0.04822020 0.00965373 -0.02751124 0.02259626 0.00146412 0.01722219 0.00965371 0.00015329 0.00032588 0.00007578 -0.01264493 -0.02152786 0.00146044 -0.04594020 -0.00951189 0.04727204 0.02345278 -0.00142685 0.00088664 0.00763974</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">86.85047383 -86.85456103 -158.11181830</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">180.396956</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-291.61315733 1131.44293756 2105.20895220 1466.69087020 -2059.90895521 -1175.07771287</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">6.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">8.89575744</scalar>
               </module>
               <module cmlx:templateRef="orbital.energies.spin.zora"
                       dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5226">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="5226">1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="5226"
                            units="nonsi:electronvolt">-183.312921 -183.275002 -132.185875 -132.172600 -132.169557 -132.147241 -132.134401 -132.132038 -84.557432 -84.555393 -84.553754 -84.552169 -84.454978 -84.453069 -84.442822 -84.440965 -84.438503 -84.436685 -84.435423 -84.433289 -84.402899 -84.402060 -84.385283 -84.384704 -84.382357 -84.381660 -84.365308 -84.364774 -78.227749 -78.196588 -77.248195 -76.037038 -49.470053 -49.446437 -49.443670 -49.414468 -49.383960 -49.375187 -49.026249 -48.311832 -48.311013 -48.307537 -48.306646 -48.224491 -48.207499 -48.201996 -48.198379 -48.197873 -48.179070 -48.173885 -48.169072 -48.161882 -48.154222 -48.143285 -48.142068 -48.136004 -48.135802 -48.124016 -48.116674 -48.097445 -48.093926 -48.087642 -48.087786 -48.081633 -48.079852 -48.076168 -48.071026 -48.067648 -48.000993 -47.993224 -47.990122 -47.987256 -47.977905 -47.977540 -47.974640 -47.964546 -47.942173 -47.940175 -47.935956 -47.931754 -47.931183 -47.930841 -47.929552 -47.925908 -47.925288 -47.920072 -47.916390 -47.911956 -47.911794 -47.909272 -47.907428 -47.904024 -47.892918 -47.879952 -47.876584 -47.874648 -47.863734 -47.863197 -47.853472 -47.844894 -47.838447 -46.964715 -46.900039 -46.825459 -37.040730 -37.039015 -37.035429 -37.034316 -37.010692 -37.009902 -37.008859 -37.008100 -37.005201 -37.004539 -37.004116 -37.003434 -36.997302 -36.995450 -36.993718 -36.991874 -36.991716 -36.990624 -36.988923 -36.988814 -36.987714 -36.987103 -36.986015 -36.984087 -36.984008 -36.982883 -36.981040 -36.979981 -36.941775 -36.938812 -36.930410 -36.930277 -36.927428 -36.927273 -36.923184 -36.919982 -36.914697 -36.911874 -36.904484 -36.904459 -36.901449 -36.901354 -36.900249 -36.899551 -36.896572 -36.895089 -36.893527 -36.893147 -36.893155 -36.892523 -36.892013 -36.891792 -36.890937 -36.890987 -36.889491 -36.886893 -36.886069 -36.885383 -36.885266 -36.884215 -36.883447 -36.882345 -36.882127 -36.881440 -36.880866 -36.880371 -36.880053 -36.879148 -36.878685 -36.878117 -36.877680 -36.877385 -36.876626 -36.875995 -36.876026 -36.875471 -36.875355 -36.873525 -36.872242 -36.871966 -36.871111 -36.870946 -36.870798 -36.870006 -36.869849 -36.867732 -36.867514 -36.867118 -36.865887 -36.865370 -36.862555 -36.860931 -36.855283 -36.853089 -36.852609 -36.851433 -36.850705 -36.850229 -36.846382 -36.843941 -36.843836 -36.842924 -36.840968 -36.838305 -36.837824 -36.837382 -36.837216 -36.836421 -36.832024 -36.831698 -36.831138 -36.831047 -36.830918 -36.828676 -36.828114 -36.827458 -36.825520 -36.823275 -36.823046 -36.822478 -36.821275 -36.820672 -36.820270 -36.817574 -36.816788 -36.816165 -36.816044 -36.815451 -36.811523 -36.811297 -36.810979 -36.810649 -36.804849 -36.804177 -36.801825 -36.799543 -36.798275 -36.797666 -36.794439 -36.793898 -30.230080 -30.200283 -27.786856 -27.744109 -27.742639 -27.724298 -27.678172 -27.652139 -26.736674 -26.733398 -26.444156 -26.441599 -26.358219 -26.356241 -26.350667 -26.328988 -26.317948 -26.233475 -26.181744 -26.170823 -26.099701 -26.098594 -26.091091 -26.076098 -26.027307 -26.026029 -25.871226 -25.864377 -25.764273 -25.756812 -25.746290 -25.699525 -25.591421 -25.581614 -25.575379 -25.572976 -25.541025 -25.531310 -25.505738 -25.501649 -25.489777 -25.465095 -25.398057 -25.394076 -25.381636 -25.379304 -25.326161 -25.320789 -25.318659 -25.308029 -25.297765 -25.296389 -25.294764 -25.287929 -25.280022 -25.278544 -25.269054 -25.265915 -25.249907 -25.242823 -25.238246 -25.235772 -25.229888 -25.215146 -25.198560 -25.186461 -25.177419 -25.168674 -25.152286 -25.134963 -25.121799 -25.117115 -24.983643 -24.944135 -24.870066 -24.845567 -24.822837 -24.802346 -24.768833 -17.042743 -17.007433 -14.752718 -14.700933 -14.643928 -14.622725 -14.609587 -14.595863 -14.220946 -14.217281 -14.136609 -14.132355 -13.736685 -13.725345 -13.719867 -13.703661 -13.452472 -13.450033 -13.346455 -13.342678 -13.313106 -13.305412 -13.267911 -13.265120 -13.175223 -13.167789 -13.106887 -13.099994 -12.977348 -12.952451 -12.919656 -12.902542 -12.859978 -12.846332 -12.770325 -12.756858 -12.736662 -12.711865 -12.702451 -12.686647 -12.657836 -12.642501 -12.591253 -12.532804 -12.461974 -12.438471 -12.422996 -12.412871 -12.375025 -12.353162 -12.331636 -12.238153 -12.149267 -12.098939 -11.901384 -11.898570 -11.882192 -11.865005 -11.854012 -11.834744 -11.827046 -11.816323 -11.794179 -11.778742 -11.761150 -11.732065 -11.680237 -11.677851 -11.641806 -11.640550 -11.594137 -11.574677 -11.499524 -11.492555 -11.472696 -11.429498 -11.419005 -11.410914 -11.339304 -11.289259 -11.247621 -11.241172 -11.237237 -11.215302 -11.214690 -11.204476 -11.197463 -11.195044 -11.174748 -11.162858 -11.136632 -11.119144 -11.104129 -11.094518 -11.088286 -11.023445 -10.998996 -10.969789 -10.968844 -10.943102 -10.941544 -10.937462 -10.901595 -10.894124 -10.879323 -10.822250 -10.816631 -10.815800 -10.807140 -10.800165 -10.794604 -10.783965 -10.780741 -10.772865 -10.763580 -10.759897 -10.723420 -10.661460 -10.654924 -10.634700 -10.627526 -10.520972 -10.493018 -10.489875 -10.471476 -10.413930 -10.408355 -10.406298 -10.401702 -10.392618 -10.371991 -10.367814 -10.361973 -10.347198 -10.297734 -10.275503 -10.266775 -10.230444 -10.181155 -10.120073 -10.104888 -10.101027 -10.091881 -10.073747 -10.043464 -10.021361 -9.975317 -9.956121 -9.890069 -9.877943 -9.866221 -9.859897 -9.807740 -9.782153 -9.747500 -9.649705 -9.632105 -9.595039 -9.573379 -9.558727 -9.532415 -9.515625 -9.481374 -9.432260 -9.402194 -9.393703 -9.384151 -9.378453 -9.324856 -9.289343 -9.234264 -9.211608 -9.166693 -9.147839 -9.138113 -9.048332 -9.046289 -9.041591 -9.021006 -9.000891 -8.943030 -8.919760 -8.907155 -8.891324 -8.845689 -8.722969 -8.717128 -8.692725 -8.684543 -8.677198 -8.646959 -8.639111 -8.587258 -8.581796 -8.559192 -8.547531 -8.538657 -8.531692 -8.513996 -8.507477 -8.500879 -8.494074 -8.483478 -8.463696 -8.443341 -8.416926 -8.402540 -8.401344 -8.381654 -8.378212 -8.358688 -8.354622 -8.354416 -8.339893 -8.337874 -8.328103 -8.322036 -8.316135 -8.284666 -8.272609 -8.208180 -8.119695 -8.078387 -8.065722 -8.031466 -8.016355 -8.009611 -7.947711 -7.946956 -7.909850 -7.901901 -7.824331 -7.823100 -7.729109 -7.655846 -7.597353 -7.553608 -6.894612 -6.638759 -6.548665 -6.477777 -6.428691 -6.415367 -6.150098 -5.792403 -3.731580 -2.948055 -2.844755 -2.701070 -2.692854 -2.482155 -2.475762 -2.353249 -2.344361 -2.341073 -2.247715 -2.243680 -2.155180 -1.876275 -1.856770 -1.847986 -1.842151 -1.841659 -1.826318 -1.778545 -1.778326 -1.711654 -1.702763 -1.537115 -1.477190 -1.471610 -1.466250 -1.441948 -1.439817 -1.376989 -1.368709 -1.353585 -1.291265 -1.266757 -1.264069 -1.226275 -1.225219 -1.092639 -1.086112 -1.024264 -1.009264 -0.994768 -0.962122 -0.901033 -0.895401 -0.855498 -0.780869 -0.719621 -0.683694 -0.599566 -0.522509 -0.507492 -0.466019 -0.458811 -0.437016 -0.432377 -0.402984 -0.393423 -0.365775 -0.328784 -0.260180 -0.235330 -0.219185 -0.207446 -0.186652 -0.146420 -0.097635 -0.056567 0.020153 0.067682 0.229835 0.377598 0.460902 0.551044 0.715194 0.801574 0.827182 0.951071 0.954936 0.965384 1.024911 1.033627 1.151854 1.153252 1.211231 1.347265 1.396312 1.483525 1.573884 1.601655 1.634602 1.644317 1.652352 1.667315 1.710255 1.733715 1.737412 1.746837 1.756088 1.758166 1.853049 1.887674 1.903076 1.912229 1.993097 1.997290 2.023870 2.120281 2.160643 2.334621 2.343875 2.344992 2.393017 2.409409 2.462791 2.486474 2.555755 2.625681 2.720423 2.750398 2.761195 2.964915 3.132154 3.230196 3.453220 3.537948 3.551841 3.597452 3.652330 3.716355 3.762204 3.811955 3.864465 3.891187 4.018446 4.025495 4.045231 4.108197 4.144429 4.172970 4.220462 4.241588 4.275909 4.299270 4.340243 4.347537 4.428850 4.448616 4.485127 4.569951 4.578985 4.585947 4.629181 4.716442 4.877285 4.882241 4.966496 4.985591 5.000633 5.041163 5.050244 5.155887 5.163443 5.261101 5.306591 5.351263 5.381460 5.445708 5.491726 5.552491 5.617337 5.633785 5.710388 5.725598 5.727098 5.834243 5.855581 5.900259 5.914057 5.933377 6.012067 6.023027 6.089328 6.096295 6.101453 6.122458 6.146464 6.181772 6.221396 6.255738 6.314608 6.488460 6.531670 6.597541 6.601631 6.675781 6.709599 6.727573 6.732414 6.860956 6.892414 6.938178 6.974538 7.061556 7.084339 7.130841 7.175836 7.230101 7.251233 7.328890 7.396239 7.416368 7.423620 7.434869 7.541610 7.545568 7.597196 7.617498 7.622955 7.769138 7.862388 7.889381 7.894846 8.044493 8.110162 8.118011 8.150566 8.159874 8.221120 8.237363 8.250105 8.268106 8.337609 8.345181 8.357115 8.367564 8.416469 8.500359 8.523286 8.554947 8.561345 8.591133 8.614039 8.701061 8.708938 8.749094 8.771962 8.805677 8.827670 8.940390 8.949571 9.052817 9.073011 9.094774 9.144887 9.211724 9.238502 9.295481 9.386375 9.423740 9.518838 9.612324 9.655783 9.697693 9.768823 9.843226 9.874524 9.883979 9.912345 9.970648 9.987293 10.068035 10.076295 10.087912 10.112534 10.119738 10.147034 10.242308 10.272346 10.317918 10.332846 10.351336 10.393711 10.415328 10.463053 10.490491 10.558337 10.563359 10.640147 10.725640 10.799735 10.917961 10.946723 10.949500 11.134102 11.150607 11.184111 11.201534 11.255865 11.340355 11.450045 11.478926 11.529260 11.540782 11.550475 11.571418 11.591120 11.607913 11.619979 11.665483 11.800564 11.850129 11.880470 11.916887 11.958849 11.992834 12.005869 12.037929 12.043161 12.136468 12.178097 12.212882 12.236167 12.294640 12.334774 12.364705 12.391896 12.392930 12.440323 12.484352 12.612351 12.626085 12.717739 12.763205 12.792782 12.853217 12.875331 12.954319 12.986975 12.989772 13.015892 13.039009 13.148956 13.187542 13.255606 13.303197 13.339435 13.387046 13.514288 13.572400 13.686184 13.692961 13.805340 13.841789 13.910645 13.988603 14.011400 14.078907 14.149284 14.199673 14.234285 14.259479 14.332360 14.370814 14.484565 14.590315 14.746425 14.754006 14.811487 14.818293 14.991371 15.048090 15.099438 15.319080 15.519534 15.631739 15.714345 15.760427 15.810383 15.842339 15.863000 16.062969 16.127221 16.249083 16.302424 16.474316 16.596944 16.655023 16.781889 16.870289 16.879326 17.077255 17.119067 17.194509 17.253681 17.341953 17.670122 17.946478 18.126315 18.137961 18.265425 18.338946 18.452579 18.556543 18.617286 18.677916 18.831533 18.834243 18.844122 18.924477 18.939159 18.964405 19.069006 19.104496 19.107422 19.148945 19.262486 19.322733 19.331947 19.374474 19.402662 19.403725 19.448360 19.461876 19.499274 19.534723 19.569154 19.599618 19.623875 19.731466 19.746985 19.812310 19.840981 19.927712 19.968332 20.137116 20.149792 20.301410 20.321908 20.409385 20.602387 20.688245 20.773477 20.851031 20.870443 20.886096 20.891037 20.956983 21.009646 21.043800 21.082268 21.134227 21.174797 21.180435 21.220560 21.235793 21.285150 21.308297 21.363694 21.377970 21.463716 21.529660 21.555341 21.611682 21.670912 21.794807 21.800369 21.810333 21.883930 21.885766 22.003025 22.049810 22.079923 22.149861 22.185363 22.230860 22.250702 22.259778 22.270630 22.322360 22.402645 22.402958 22.548389 22.609411 22.611029 22.676811 22.704799 22.756945 22.814203 22.874909 22.970938 22.998381 23.056277 23.160101 23.187029 23.230171 23.325560 23.405822 23.517352 23.581827 23.593256 23.645305 23.724734 23.757232 23.794719 23.819087 23.941925 24.042583 24.118286 24.141817 24.215498 24.247414 24.295139 24.335424 24.404431 24.406849 24.500270 24.552049 24.573934 24.575070 24.625215 24.801068 24.833856 24.921737 24.960905 25.137110 25.218896 25.266334 25.277599 25.358416 25.379653 25.411166 25.453038 25.490636 25.601772 25.724065 25.738381 25.927141 25.936125 26.013936 26.027687 26.048638 26.121098 26.184076 26.420784 26.441610 26.507333 26.569830 26.586537 26.614626 26.712472 26.936347 26.977278 27.115829 27.147153 27.194112 27.311602 27.318949 27.366552 27.371610 27.501161 27.523481 27.537961 27.629465 27.694609 27.761365 27.771162 27.806519 27.913357 27.938655 27.961601 28.008725 28.032142 28.039465 28.076581 28.154566 28.186671 28.240323 28.304486 28.363191 28.382942 28.423306 28.479647 28.491040 28.594668 28.652157 28.780585 28.801009 28.864349 28.941773 28.988548 29.004137 29.130347 29.202332 29.244641 29.257044 29.279623 29.360866 29.423121 29.458249 29.459082 29.496875 29.501367 29.547219 29.602125 29.699661 29.720881 29.729905 29.779044 29.844247 29.865531 29.914113 29.988655 29.993474 30.006487 30.076307 30.093980 30.189792 30.236840 30.251738 30.341849 30.378077 30.510057 30.525323 30.544426 30.567203 30.637371 30.638309 30.872400 30.902862 30.916676 30.941799 30.975755 31.000302 31.019591 31.101716 31.143341 31.145028 31.182782 31.222292 31.234485 31.325948 31.390211 31.413257 31.458817 31.544570 31.547370 31.601267 31.624470 31.652221 31.694681 31.734907 31.816896 31.830877 31.857610 31.931058 31.959621 31.993309 32.004112 32.130768 32.152488 32.163639 32.201137 32.228926 32.230019 32.260388 32.294942 32.403750 32.413902 32.465671 32.516226 32.585113 32.604579 32.670977 32.731430 32.794459 32.818508 32.902793 32.911331 32.935210 32.969767 32.980783 33.022926 33.048640 33.058977 33.115149 33.198034 33.316941 33.369535 33.450070 33.459200 33.513497 33.552940 33.614924 33.631090 33.718002 33.763862 33.768248 33.815043 33.898667 33.912102 33.970702 34.040353 34.060206 34.076112 34.080385 34.083059 34.136714 34.232981 34.233104 34.280433 34.350790 34.386950 34.419218 34.421648 34.481308 34.499215 34.511057 34.520261 34.547100 34.587232 34.616118 34.676903 34.686541 34.704795 34.756860 34.767588 34.855177 34.862030 34.911659 34.949548 34.959022 35.004875 35.092229 35.113449 35.170129 35.198583 35.242040 35.279179 35.301832 35.303737 35.322478 35.352483 35.365921 35.394271 35.474107 35.555807 35.575124 35.577506 35.622346 35.635795 35.687684 35.696711 35.705279 35.778252 35.785217 35.816102 35.822829 35.842127 35.864961 35.911975 35.913305 35.958567 35.999466 36.000096 36.016398 36.037809 36.054667 36.076524 36.176815 36.197125 36.231011 36.265546 36.302324 36.349746 36.389459 36.454757 36.464572 36.500270 36.508720 36.599321 36.655570 36.704334 36.734316 36.749001 36.777567 36.850387 36.956470 36.986122 36.993380 37.002779 37.068825 37.116487 37.178783 37.200540 37.209998 37.252227 37.253157 37.264356 37.306619 37.356791 37.359470 37.406940 37.465835 37.517010 37.591887 37.652126 37.673766 37.697866 37.771122 37.783690 37.803437 37.842207 37.888362 37.900740 37.913737 37.931851 38.031041 38.123127 38.143543 38.192009 38.228819 38.240715 38.284573 38.317723 38.319778 38.375478 38.377100 38.407936 38.438582 38.473431 38.475985 38.663751 38.678731 38.712101 38.747438 38.807976 38.828236 38.880898 38.888002 38.912287 38.926251 38.955772 39.017916 39.091532 39.138461 39.146435 39.181858 39.194210 39.261552 39.281764 39.299081 39.355594 39.380276 39.414183 39.492180 39.534653 39.563603 39.589456 39.594049 39.619306 39.669635 39.734033 39.797268 39.873608 39.963766 40.024609 40.057728 40.123024 40.171400 40.176732 40.233551 40.297667 40.346625 40.349198 40.571616 40.590563 40.700231 40.741440 40.821628 40.842735 40.932819 40.986793 41.034371 41.141880 41.208257 41.347360 41.405278 41.529452 41.552751 41.619091 41.631759 41.687978 41.706324 41.732273 41.744496 41.842302 41.970427 41.979372 42.077553 42.167643 42.190067 42.211662 42.241326 42.298100 42.330656 42.359116 42.457239 42.485164 42.570859 42.613981 42.652608 42.676930 42.765179 42.938988 42.955409 43.020619 43.024016 43.071660 43.082278 43.097957 43.113779 43.169075 43.241126 43.248043 43.385676 43.423097 43.505039 43.682598 43.694301 43.950863 43.954241 43.996827 44.064400 44.151910 44.180046 44.264548 44.337060 44.409834 44.527904 44.587798 44.626675 44.807973 44.923517 44.957847 45.050163 45.062065 45.322296 45.327811 45.353461 45.512935 45.516486 45.656706 45.686976 45.745805 45.820992 45.836486 45.844361 45.879862 45.978455 46.019464 46.064478 46.167126 46.179382 46.203061 46.294227 46.352840 46.361853 46.383199 46.434122 46.577437 46.586327 46.638705 46.665963 46.682637 46.707686 46.763574 46.891226 46.925025 47.007173 47.019453 47.094360 47.290798 47.383693 47.401007 47.487884 47.539380 47.541164 47.595657 47.615235 47.776882 47.808801 47.878118 48.013437 48.031126 48.101140 48.150694 48.152284 48.221774 48.331054 48.391209 48.416442 48.520755 48.562415 48.568430 48.712693 48.749361 48.801478 48.826008 48.870626 48.923422 48.935511 48.960367 49.055351 49.253000 49.352495 49.449529 49.478144 49.803458 49.999216 50.091560 50.163236 50.166984 50.206110 50.231258 50.272395 50.525221 50.596904 50.675780 50.771068 50.882858 51.011575 51.092074 51.114238 51.215046 51.237173 51.335722 51.344014 51.582011 51.671056 51.708998 51.838450 51.884720 51.910603 52.013637 52.037616 52.188846 52.211332 52.304751 52.415041 52.425269 52.438202 52.532363 52.590174 52.654702 52.774426 52.774825 52.969258 53.061012 53.076202 53.102879 53.154438 53.248608 53.266405 53.319248 53.319356 53.433998 53.518032 53.565850 53.679442 53.798813 53.828288 53.864209 53.987937 54.182527 54.225860 54.285715 54.343173 54.407592 54.445198 54.471017 54.537862 54.760192 54.777912 54.821846 54.931644 55.169620 55.294854 55.301913 55.420907 55.528119 55.607681 55.614844 55.671235 55.722663 55.798715 55.922901 55.982039 55.998785 56.049541 56.093732 56.208257 56.261980 56.324040 56.401740 56.445581 56.604613 56.725455 56.745614 56.848391 56.995659 57.062216 57.063103 57.108998 57.109915 57.261887 57.351078 57.371883 57.492131 57.511160 57.595311 57.606446 57.671307 57.760756 57.832021 57.906640 58.067769 58.077368 58.105095 58.188236 58.234013 58.294704 58.386787 58.405870 58.482370 58.517792 58.586790 58.753478 58.760627 58.828112 58.831639 58.914507 58.932208 59.073767 59.127373 59.250107 59.317265 59.320013 59.449703 59.472649 59.525330 59.549100 59.584547 59.625730 59.756829 59.768447 59.902351 59.957673 60.030322 60.050861 60.069599 60.102021 60.130872 60.148366 60.402081 60.460939 60.508479 60.509271 60.633494 60.668122 60.675566 60.691758 60.697531 60.805484 60.854347 60.879973 60.982907 61.023528 61.033256 61.283933 61.348056 61.474634 61.536587 61.566423 61.685754 61.715790 61.726969 62.012713 62.281134 62.388325 62.440903 62.618557 62.665819 62.810859 62.819679 62.877777 63.211967 63.326182 63.451490 63.563270 63.678619 63.745226 63.771732 63.790851 63.911039 63.948248 64.158897 64.199213 64.306292 64.402122 64.542968 64.566667 64.601115 64.629645 64.635289 64.656853 64.720537 64.880490 65.020683 65.119339 65.128602 65.379431 65.551805 65.673089 65.709332 65.815770 65.837604 66.040379 66.075006 66.123864 66.139754 66.150708 66.230691 66.299276 66.389206 66.394581 66.471582 66.492708 66.546546 66.698887 66.821409 66.840164 67.078900 67.153172 67.215309 67.351035 67.432247 67.529734 67.532085 67.552472 67.655821 67.709039 67.856133 67.894859 67.940926 68.058309 68.125854 68.242655 68.283457 68.392973 68.452922 68.648637 68.660814 68.752399 68.774767 68.840012 68.878775 68.905410 68.939500 68.943622 69.071721 69.283951 69.315400 69.350023 69.368850 69.403620 69.464615 69.513179 69.771960 69.818400 69.893851 70.340892 70.365431 70.463744 70.549951 70.639194 70.776471 70.885316 71.077840 71.172022 71.339244 71.496632 71.508108 71.540249 71.685574 71.746191 71.783625 71.791261 71.823570 71.827259 71.868509 71.895626 71.934836 71.974980 71.991154 72.142661 72.162141 72.174656 72.212683 72.265002 72.279494 72.280869 72.313154 72.382980 72.408002 72.425734 72.453315 72.480715 72.497482 72.518615 72.545611 72.559521 72.576230 72.586096 72.592328 72.621958 72.662483 72.694575 72.707883 72.718551 72.725985 72.730524 72.790901 72.874542 72.926637 73.793951 73.857228 73.951112 74.139512 74.192525 74.255233 74.292596 74.324497 74.595583 74.804127 76.018405 76.466707 77.411284 78.285887 80.191637 80.277017 80.502992 80.556494 81.486312 82.025104 82.569031 82.773093 82.853048 83.078107 83.115639 83.484592 83.655838 84.041099 84.077283 84.231580 84.266487 84.283167 84.368003 84.604409 84.757681 84.779067 84.815703 84.841251 85.140755 85.306321 85.345927 85.396912 85.490754 85.508483 85.655961 85.719024 85.757416 85.872839 85.892307 85.912571 86.064287 86.117645 86.165560 86.205573 86.347920 86.417974 86.847358 86.940090 86.981015 87.090978 87.091330 87.131359 87.180012 87.248571 87.406746 87.508621 87.585830 87.704405 87.729530 87.762050 87.897093 87.963133 88.189326 88.431513 88.523915 88.694760 88.804253 88.858409 88.880123 88.947460 89.304427 89.483473 89.856511 89.878869 89.981192 90.103867 90.209423 90.431344 90.485871 90.562067 90.781661 90.843720 91.119107 91.353963 91.863898 91.939480 92.128928 92.336709 92.367172 92.407816 92.420828 92.556772 92.720476 92.783412 92.815629 92.975240 93.813952 94.161585 94.203910 94.382409 94.527749 94.717674 95.071703 95.128898 95.227374 95.339921 95.460397 95.645465 96.007095 96.197882 96.306061 96.377109 96.416564 96.446164 96.881704 96.997859 97.180985 97.212258 97.359928 97.473331 105.556312 107.112307 107.807384 107.924685 108.097148 108.132805 108.569105 108.596007 108.691692 108.714321 109.014927 109.083432 109.184340 109.525984 109.811985 109.810419 109.915378 110.102518 110.581857 111.208323 111.646300 112.141533 112.308073 112.493745 124.920073 125.065042 127.185236 127.310440 127.363918 127.590478 127.898357 128.265546 128.901318 128.930736 129.176559 129.271881 129.563722 129.847344 129.884251 129.937565 130.118043 130.216858 130.238180 130.244828 130.493413 130.716290 130.757766 130.888001 130.936683 131.378475 131.447371 131.476142 132.433032 132.716904 133.220200 133.256093 133.295718 133.481952 133.585941 133.587500 133.706333 133.715965 133.781487 134.036973 134.138835 134.343052 134.343434 134.435034 134.519905 134.542755 134.578825 134.923952 134.935406 135.137607 135.184964 135.501973 135.859188 136.093110 136.137587 136.440706 136.441453 136.617543 136.640752 136.768718 137.238577 137.599363 137.808043 137.893391 138.346439 138.480849 138.643221 138.665324 138.743779 138.884359 139.027604 139.228656 139.586806 139.715177 140.446027 140.526302 140.602251 140.698410 140.767702 140.778996 141.226429 141.309503 141.521349 141.657817 141.737305 141.896777 141.961878 142.103476 142.246304 142.359795 142.404482 142.565177 142.585103 142.885262 142.909591 143.090616 143.133312 143.334008 143.444279 143.454808 143.595265 143.718051 143.855697 143.927496 143.969226 144.189329 144.274553 144.285545 144.409068 144.476901 144.579096 144.702848 144.733325 144.860296 144.918090 145.012243 145.239842 145.297894 145.321111 145.407984 145.471550 145.884352 146.122690 146.213673 146.295395 146.348568 146.357715 146.553660 146.755194 146.802371 146.941374 146.998099 147.034936 147.482727 147.507385 147.628150 147.867446 148.080804 148.507983 148.717560 148.898878 148.967531 148.979589 149.154078 149.191523 149.586493 149.835584 149.875039 150.030839 150.089565 150.369548 150.570212 150.652554 151.003341 151.089377 151.535754 152.249916 152.396799 152.462720 152.654882 152.687216 152.808571 152.864335 153.133084 153.343048 153.565074 153.697538 154.157554 154.322497 154.439442 154.512434 154.690391 154.797822 154.824579 155.021408 155.041432 155.074310 155.312806 155.487997 155.549863 155.608091 155.707073 155.934494 155.960484 156.030211 156.269376 156.670232 156.781388 156.914194 158.159052 158.422444 159.155608 159.335167 159.427662 159.717732 159.723939 160.084963 160.260071 160.761965 160.815234 161.048060 161.038953 161.143798 161.190090 161.208506 161.282838 161.413217 161.451816 161.471037 161.756441 161.843861 161.933544 162.221297 162.401878 162.685852 163.168403 163.219267 163.475555 163.636373 163.655577 163.712267 163.877538 163.876339 163.978590 163.974779 164.108470 164.211714 164.331318 165.025382 165.098367 165.208656 165.781871 165.800504 166.154601 166.292998 166.510399 166.672127 167.140008 167.301216 167.549182 170.339618 170.809573 170.835169 171.161123 171.215857 171.334299 172.020134 172.149163 172.223502 173.135512 173.273869 173.605349 174.066112 174.182874 174.395009 174.609141 175.139966 175.407881 175.545187 175.544048 175.626979 175.929969 176.355161 176.357328 176.443392 177.268242 177.642064 177.719105 177.953298 178.277602 178.751626 178.885247 179.280832 179.389141 179.718914 180.186792 180.272555 180.335769 180.376974 180.741980 180.801630 181.396251 182.330565 182.520738 182.532795 182.889953 183.341731 184.032865 184.297393 184.408000 184.492550 185.488095 186.241663 187.273112 187.933415 188.174898 188.745825 189.148040 189.567018 189.615530 190.762421 191.149812 192.579651 192.646556 192.750214 193.425597 193.674437 195.477994 197.420358 330.585897 331.091381 333.390417 333.432981 334.024384 334.781224 367.301152 368.418768 485.950981 485.953129 485.959001 485.963615 485.982777 485.995018 486.056645 486.076109 486.076824 486.095254 486.107908 486.129044 486.237455 486.260960 486.318070 486.335199 486.461461 486.479465 486.483524 486.505503 488.618791 488.624121 488.638972 488.639444 488.663846 488.680356 488.683917 488.695990 488.744048 488.757388 488.823302 488.844641 488.977016 489.000978 489.007153 489.018966 489.057911 489.081768 489.092917 489.104023 489.118537 489.128243 489.142907 489.149166 489.217885 489.231424 489.302999 489.323676 489.330102 489.346666 489.360749 489.376722 489.474652 489.492265 489.569276 489.585609 489.607823 489.624192 489.625609 489.635966 491.544608 491.565902 491.669826 491.686523 491.790023 491.816794 491.863990 491.870676 491.880178 491.882857 492.039029 492.064854 492.246822 492.266019 492.356382 492.382473 492.512614 492.534519 493.222685 493.239142 495.740959 495.763035 495.782666 495.801169 495.967415 495.984537 496.150332 496.154359 496.170554 496.184712 496.274656 496.308145 496.689862 496.737122 496.828360 496.867290 496.972560 496.999321 497.029499 497.068185 497.164530 497.176268 497.199617 497.214781 497.226316 497.242914 497.261102 497.291149 497.392967 497.403939 497.508456 497.559257 497.592851 497.660341 497.952936 498.024703 498.037926 498.121784 498.252010 498.306238 500.208298 500.225436 500.314768 500.338235 500.391905 500.453614 500.505931 500.541223 500.717933 500.760054 500.772078 500.794112 500.822853 500.829017 500.835708 500.876998 500.942443 500.979544 501.055467 501.075287 938.831322 944.286394 944.561568 945.081365 945.413151 947.515237 948.499933 948.782004 949.118326 950.186333 950.265702 952.944282 953.385519 954.081615 954.498690 955.021032 955.199812 955.835161 956.682721 957.348453 957.381197 957.797083 958.041038 958.070762 958.724976 959.312553 959.755576 959.807369 960.584180 960.665503 960.744820 960.804405 960.913648 961.346030 961.748501 962.420096 962.683084 962.776620 963.558784 963.748545 963.779514 963.911922 964.759513 967.184645 967.741706 969.383131 969.815998 970.418081 970.959584 970.992795 971.062740 972.037241 972.584034 973.487406 973.912873 974.385951 975.000850 975.193274 975.324812 976.108260 976.684823 977.177953 977.466693 988.539176 988.941597 990.739642 991.715275 992.770440 993.352525 993.537769 994.443502 998.300115 998.783592 1000.635843 1002.315474 1003.781464 1004.145310 1004.461020 1004.972411 83110.198014 83110.339044 83119.915276 83126.351089 83131.715795 83132.860148 83140.051564 83140.804539 83143.628521 83145.408913 83147.484740 83148.228106 83148.268241 83149.497568 83150.454438 83151.398592 83151.487794 83153.706131 83153.835099 83156.989756 -183.389800 -183.352064 -132.237236 -132.223941 -132.221067 -132.198800 -132.186057 -132.183639 -84.593107 -84.591085 -84.586004 -84.584444 -84.484289 -84.482396 -84.479300 -84.477482 -84.473955 -84.472099 -84.468817 -84.466692 -84.434683 -84.433859 -84.425228 -84.424627 -84.414606 -84.413908 -84.398257 -84.397732 -78.203568 -76.505511 -76.073382 -75.981107 -49.441794 -49.380915 -49.373181 -48.325737 -48.324918 -48.319563 -48.318671 -48.232381 -48.219085 -48.217523 -48.210912 -48.205214 -48.192159 -48.189633 -48.182221 -48.172389 -48.164787 -48.158223 -48.153399 -48.151882 -48.146250 -48.134999 -48.129305 -48.107865 -48.101607 -48.097856 -48.093683 -48.091244 -48.084965 -48.083219 -48.074481 -48.008984 -48.008005 -48.002954 -47.995764 -47.987301 -47.983678 -47.976031 -47.973854 -47.953213 -47.951473 -47.947958 -47.945616 -47.943391 -47.942926 -47.936470 -47.935054 -47.934991 -47.933443 -47.926899 -47.925729 -47.920771 -47.919227 -47.916197 -47.910075 -47.907991 -47.894224 -47.886594 -47.880490 -47.871503 -47.870323 -47.855016 -47.845705 -47.710933 -47.691476 -46.985481 -46.984425 -46.924830 -46.883396 -46.848613 -46.781624 -46.773066 -37.075441 -37.073724 -37.069676 -37.068563 -37.045484 -37.044688 -37.043651 -37.042883 -37.039776 -37.038858 -37.038692 -37.037751 -37.032121 -37.030267 -37.028498 -37.026651 -37.026456 -37.025362 -37.023733 -37.022327 -37.021911 -37.021226 -37.020802 -37.018872 -37.017688 -37.016559 -37.014550 -37.013495 -36.975484 -36.972508 -36.965639 -36.964342 -36.962684 -36.961334 -36.957546 -36.954369 -36.948574 -36.945805 -36.939828 -36.938562 -36.936771 -36.935518 -36.934049 -36.933333 -36.931028 -36.928721 -36.928034 -36.927444 -36.927117 -36.926931 -36.926705 -36.925947 -36.925446 -36.924918 -36.922518 -36.920092 -36.919792 -36.918863 -36.918616 -36.918213 -36.917787 -36.917193 -36.917166 -36.915618 -36.914953 -36.914022 -36.913864 -36.913836 -36.913375 -36.912752 -36.912596 -36.911956 -36.911908 -36.911341 -36.910515 -36.909962 -36.909662 -36.907839 -36.907432 -36.906386 -36.905934 -36.905337 -36.904383 -36.904261 -36.903780 -36.901928 -36.901448 -36.900876 -36.899635 -36.899590 -36.895912 -36.894253 -36.889544 -36.887793 -36.887343 -36.885578 -36.885385 -36.884785 -36.880566 -36.878202 -36.877554 -36.876670 -36.874101 -36.873043 -36.872606 -36.871581 -36.870240 -36.869408 -36.865766 -36.865261 -36.865243 -36.865072 -36.864327 -36.863813 -36.863137 -36.862940 -36.861716 -36.859064 -36.857579 -36.857026 -36.856935 -36.856156 -36.853578 -36.852980 -36.852242 -36.851075 -36.849456 -36.848711 -36.845871 -36.845573 -36.844833 -36.843961 -36.838899 -36.838351 -36.835981 -36.833737 -36.831701 -36.831076 -36.827545 -36.826919 -30.231101 -30.205037 -27.789295 -27.749583 -27.745754 -27.725979 -27.676693 -27.656489 -26.735460 -26.717140 -26.446626 -26.436043 -26.426381 -26.353899 -26.330304 -26.323628 -26.298276 -26.176824 -26.148084 -26.141059 -26.086931 -26.075175 -26.058658 -26.044663 -26.031772 -26.021567 -25.863054 -25.832308 -25.755020 -25.719700 -25.703328 -25.644929 -25.578091 -25.576346 -25.561488 -25.551972 -25.520601 -25.492836 -25.489398 -25.479595 -25.460595 -25.442188 -25.400576 -25.396559 -25.384281 -25.377263 -25.309490 -25.306822 -25.305479 -25.301807 -25.296377 -25.292438 -25.278425 -25.273570 -25.272334 -25.267063 -25.249930 -25.247439 -25.247364 -25.244120 -25.229133 -25.228708 -25.224565 -25.181157 -25.180223 -25.171877 -25.162154 -25.135103 -25.121186 -25.119278 -25.110711 -25.101035 -24.951722 -24.920125 -24.845090 -24.834982 -24.806230 -24.767174 -24.734105 -17.037354 -17.004261 -14.721671 -14.683667 -14.642528 -14.622127 -14.616727 -14.580158 -14.222138 -14.211017 -14.137711 -14.126248 -13.716698 -13.706579 -13.661748 -13.643670 -13.453977 -13.438590 -13.346840 -13.336201 -13.311896 -13.297883 -13.269104 -13.252612 -13.175960 -13.144347 -13.108597 -13.084273 -12.918913 -12.870054 -12.845016 -12.838075 -12.825905 -12.818579 -12.770935 -12.733416 -12.688085 -12.661878 -12.648716 -12.647414 -12.642269 -12.536978 -12.517860 -12.500903 -12.424984 -12.422750 -12.390691 -12.355125 -12.352553 -12.289764 -12.228899 -12.132840 -12.130119 -12.075437 -11.888778 -11.864946 -11.856691 -11.835847 -11.827651 -11.790323 -11.785897 -11.783998 -11.767549 -11.751820 -11.703773 -11.694698 -11.672626 -11.659547 -11.604313 -11.598041 -11.586609 -11.509808 -11.496502 -11.425185 -11.424354 -11.414829 -11.400791 -11.373685 -11.318047 -11.250637 -11.237157 -11.224230 -11.220936 -11.210324 -11.197881 -11.189690 -11.183669 -11.163883 -11.118157 -11.100410 -11.096460 -11.084134 -11.070629 -11.053464 -11.004097 -10.998188 -10.963402 -10.956948 -10.939090 -10.924986 -10.899175 -10.892185 -10.886323 -10.837264 -10.836816 -10.811827 -10.811484 -10.797912 -10.795666 -10.791642 -10.787205 -10.784439 -10.766915 -10.757780 -10.738732 -10.729509 -10.671716 -10.657391 -10.633406 -10.624429 -10.618550 -10.537308 -10.475688 -10.459204 -10.441385 -10.405274 -10.393271 -10.390721 -10.378005 -10.374509 -10.367201 -10.357637 -10.320629 -10.276248 -10.253399 -10.239060 -10.219800 -10.161108 -10.117819 -10.110583 -10.090019 -10.078023 -10.021933 -9.990212 -9.945060 -9.885517 -9.862433 -9.841398 -9.838620 -9.801626 -9.776361 -9.760065 -9.722909 -9.679073 -9.603001 -9.581447 -9.551994 -9.526631 -9.501148 -9.482325 -9.471795 -9.444538 -9.411672 -9.385126 -9.349984 -9.312169 -9.276882 -9.242280 -9.197200 -9.190078 -9.134728 -9.113375 -9.113119 -9.072774 -9.022577 -9.016819 -8.996490 -8.982146 -8.956309 -8.928340 -8.886271 -8.860373 -8.857412 -8.837050 -8.796016 -8.693164 -8.683144 -8.674238 -8.672069 -8.641033 -8.635417 -8.613519 -8.563586 -8.548821 -8.540571 -8.524277 -8.523505 -8.516089 -8.508203 -8.490895 -8.488053 -8.472435 -8.449309 -8.414512 -8.401827 -8.388646 -8.370671 -8.368103 -8.358644 -8.347949 -8.342083 -8.339732 -8.325123 -8.324903 -8.313447 -8.301256 -8.276881 -8.272235 -8.261434 -8.192067 -8.077027 -8.068346 -8.048530 -8.007628 -8.001663 -7.950820 -7.915888 -7.902121 -7.896982 -7.846512 -7.824836 -7.805259 -7.792888 -7.656764 -7.608416 -7.554076 -7.508985 -6.510088 -6.402578 -6.389725 -5.478281 -3.319455 -3.026702 -2.925913 -2.801627 -2.734532 -2.693062 -2.665794 -2.501082 -2.485733 -2.452701 -2.347152 -2.322871 -2.312522 -2.251994 -2.224383 -2.062776 -1.892349 -1.856695 -1.844606 -1.842149 -1.829921 -1.792715 -1.711881 -1.678907 -1.675808 -1.535041 -1.527662 -1.476947 -1.462561 -1.443306 -1.431091 -1.375736 -1.361043 -1.313314 -1.288095 -1.287252 -1.234146 -1.232744 -1.184385 -1.087789 -1.031942 -1.001668 -0.986024 -0.956066 -0.936758 -0.918189 -0.899173 -0.897084 -0.876799 -0.802961 -0.629943 -0.603976 -0.590015 -0.567702 -0.482220 -0.460090 -0.447117 -0.443728 -0.435813 -0.427490 -0.395814 -0.376101 -0.349892 -0.308480 -0.221234 -0.220225 -0.193689 -0.143585 -0.138103 -0.068610 -0.065476 0.065883 0.119670 0.356016 0.392105 0.477290 0.492719 0.583128 0.739256 0.814973 0.835921 0.951973 0.966755 0.971136 1.035934 1.037906 1.156068 1.162521 1.224504 1.353281 1.408758 1.502112 1.579743 1.608547 1.638250 1.654639 1.655629 1.672862 1.715721 1.735224 1.745150 1.753241 1.760430 1.770126 1.866658 1.904398 1.916151 1.929948 2.000664 2.017744 2.026553 2.131514 2.162446 2.348166 2.349505 2.366673 2.410926 2.445045 2.484491 2.494629 2.564243 2.641302 2.730504 2.756527 2.772507 2.970474 3.139147 3.245746 3.486624 3.552587 3.588552 3.616436 3.682370 3.754216 3.769753 3.833428 3.877845 3.904243 4.031160 4.031406 4.063607 4.130350 4.150768 4.178251 4.252119 4.253625 4.280428 4.314358 4.346618 4.354107 4.434084 4.464342 4.509384 4.585938 4.595386 4.595661 4.648305 4.724148 4.881678 4.889903 4.971851 4.993568 5.007261 5.055000 5.056510 5.179353 5.184532 5.263137 5.315165 5.358888 5.389118 5.457855 5.528284 5.614425 5.642452 5.643978 5.721396 5.745737 5.757865 5.834686 5.870792 5.897517 5.922841 5.952314 6.030277 6.042196 6.099626 6.101786 6.104023 6.127540 6.182159 6.184451 6.228189 6.270700 6.353102 6.507084 6.563376 6.606714 6.667494 6.699099 6.724668 6.738668 6.743124 6.882379 6.916419 6.943716 6.997006 7.069819 7.092042 7.160360 7.186084 7.261714 7.296725 7.395937 7.399443 7.420523 7.425962 7.477425 7.547613 7.548062 7.624011 7.650516 7.663881 7.827120 7.884844 7.894706 7.910134 8.085420 8.116827 8.125000 8.168830 8.169964 8.240677 8.253952 8.265334 8.317441 8.346319 8.350076 8.364095 8.392483 8.426716 8.496954 8.527777 8.567964 8.577752 8.603284 8.628805 8.716418 8.720613 8.765934 8.789407 8.791356 8.895382 8.959242 9.026841 9.113785 9.121001 9.152330 9.173034 9.228467 9.245859 9.302869 9.427209 9.442304 9.522265 9.616613 9.714785 9.755315 9.784941 9.847330 9.880244 9.889855 9.929320 9.991849 10.037400 10.082405 10.093615 10.094293 10.122351 10.138683 10.172382 10.279310 10.285702 10.329487 10.361242 10.364740 10.407716 10.432321 10.501476 10.545703 10.569420 10.605312 10.659822 10.810810 10.838486 10.927641 10.952374 11.029691 11.147138 11.158377 11.210505 11.217825 11.324234 11.385626 11.498511 11.500687 11.538239 11.551564 11.570169 11.579788 11.616754 11.627503 11.652829 11.664299 11.809737 11.878282 11.884874 11.934459 11.992319 12.003965 12.022435 12.048320 12.076130 12.152074 12.213719 12.224630 12.247769 12.303725 12.354296 12.389266 12.409400 12.412835 12.455472 12.561164 12.631556 12.664375 12.776101 12.808203 12.842835 12.872529 12.898651 12.987485 13.015796 13.020275 13.026557 13.066458 13.160491 13.198239 13.273670 13.320498 13.364440 13.418373 13.530599 13.586074 13.708530 13.709511 13.811475 13.869417 13.949360 13.984464 14.010201 14.159004 14.168094 14.249893 14.255759 14.274971 14.348861 14.376557 14.492356 14.649168 14.751369 14.765856 14.815692 14.870347 14.999679 15.071683 15.149331 15.359774 15.558184 15.663772 15.688568 15.785649 15.832126 15.893234 15.934472 16.083473 16.140213 16.288004 16.320514 16.495000 16.629333 16.696238 16.810010 16.936349 16.939879 17.087215 17.162611 17.219964 17.306132 17.506605 17.759566 18.000056 18.152079 18.187703 18.266891 18.389206 18.485809 18.599271 18.645295 18.700079 18.846326 18.864384 18.869389 18.946503 18.975578 18.982798 19.081142 19.111800 19.128615 19.155920 19.316762 19.344720 19.350727 19.387061 19.409022 19.450338 19.466774 19.479997 19.519778 19.558129 19.575029 19.654457 19.661993 19.758129 19.764657 19.828319 19.847582 19.933978 19.976895 20.144796 20.166446 20.308499 20.348660 20.438226 20.619489 20.718946 20.806345 20.874559 20.911817 20.920929 20.957090 20.983199 21.031952 21.072945 21.117252 21.156493 21.178493 21.184443 21.234815 21.301359 21.331900 21.351773 21.396946 21.453339 21.476312 21.571144 21.578688 21.637283 21.707107 21.815123 21.822276 21.881307 21.896100 21.910219 22.014373 22.091195 22.111475 22.148072 22.223976 22.239363 22.259981 22.297590 22.333850 22.344786 22.428914 22.434302 22.555156 22.630912 22.636789 22.689248 22.740608 22.784810 22.826417 22.933152 22.999195 23.044795 23.099240 23.201614 23.225737 23.228856 23.352903 23.414804 23.541058 23.606899 23.613828 23.672987 23.759791 23.825498 23.825839 23.850227 23.972593 24.061096 24.116927 24.174597 24.272281 24.277909 24.334388 24.352639 24.417318 24.463855 24.516072 24.562598 24.582025 24.607218 24.656274 24.811258 24.880867 24.947559 24.983698 25.143597 25.219568 25.288848 25.307060 25.402118 25.411277 25.443249 25.477685 25.510207 25.629675 25.736629 25.756890 25.962098 25.963813 26.020761 26.037068 26.072785 26.143472 26.202651 26.444695 26.462985 26.528149 26.593843 26.606495 26.609646 26.738752 26.946158 27.028086 27.127779 27.175639 27.213891 27.324944 27.331668 27.401684 27.410391 27.510838 27.557944 27.582349 27.669639 27.700095 27.772378 27.799592 27.860588 27.931206 27.961702 27.974808 28.048514 28.083804 28.096295 28.097891 28.184692 28.206747 28.252543 28.323160 28.375662 28.402370 28.501778 28.506805 28.531917 28.632973 28.714565 28.788075 28.820074 28.892950 28.990259 29.002983 29.016725 29.141622 29.243734 29.272911 29.277343 29.317543 29.367384 29.447570 29.475643 29.486062 29.521660 29.552077 29.574356 29.623700 29.711826 29.734100 29.760271 29.790431 29.860814 29.907062 29.916038 30.010121 30.013934 30.017003 30.099639 30.105496 30.205693 30.258266 30.267980 30.361768 30.382227 30.544029 30.562566 30.567550 30.586174 30.645184 30.662703 30.893547 30.915918 30.931406 30.974342 31.003524 31.027933 31.033599 31.128029 31.138265 31.154711 31.205589 31.249181 31.284552 31.344968 31.410367 31.436700 31.478018 31.555348 31.558122 31.633959 31.634171 31.659237 31.715452 31.745645 31.826650 31.849110 31.892431 31.958578 31.979201 32.010204 32.010748 32.146305 32.171432 32.175917 32.221501 32.234387 32.252948 32.265105 32.309377 32.419414 32.437849 32.490440 32.553922 32.618261 32.627061 32.748376 32.751489 32.805666 32.827697 32.906718 32.925814 32.955303 32.995468 33.000383 33.069876 33.077797 33.089745 33.125483 33.213842 33.330493 33.383066 33.463924 33.494535 33.551252 33.570015 33.623435 33.640329 33.723320 33.776962 33.787667 33.828004 33.904695 33.932152 33.976800 34.052075 34.072072 34.087400 34.090075 34.099599 34.161414 34.248942 34.253439 34.298756 34.358491 34.397747 34.431079 34.447694 34.518859 34.519028 34.527937 34.531337 34.568193 34.600054 34.644125 34.693086 34.698183 34.719154 34.773315 34.785029 34.876478 34.880002 34.929037 34.965348 34.978097 35.010124 35.107937 35.136765 35.199462 35.227390 35.256483 35.291906 35.321515 35.321892 35.334946 35.369541 35.390089 35.406744 35.511401 35.584462 35.592824 35.597368 35.640487 35.655613 35.708416 35.719515 35.744150 35.794694 35.820113 35.833252 35.856337 35.890313 35.893360 35.927517 35.948754 35.973544 36.014643 36.019095 36.024647 36.050368 36.083455 36.109432 36.190391 36.223461 36.249930 36.281400 36.326374 36.361406 36.409951 36.467224 36.482935 36.521981 36.528159 36.620370 36.681239 36.732651 36.770222 36.775444 36.799120 36.879545 36.981653 36.996823 37.005076 37.026361 37.088563 37.154459 37.191680 37.218020 37.241877 37.250890 37.291311 37.294913 37.335402 37.378074 37.398610 37.429293 37.474535 37.542081 37.644106 37.670244 37.688929 37.709878 37.797323 37.812515 37.822165 37.867516 37.909593 37.928541 37.938507 37.977492 38.071702 38.164189 38.169260 38.206561 38.244053 38.258992 38.309928 38.330027 38.339381 38.392481 38.420950 38.446414 38.480244 38.495964 38.505235 38.692860 38.703183 38.753525 38.772060 38.827489 38.842759 38.891571 38.896990 38.939664 38.941003 38.982742 39.035026 39.109483 39.165244 39.167804 39.193358 39.241287 39.295007 39.295545 39.325022 39.367104 39.389446 39.425306 39.505858 39.567127 39.599369 39.604729 39.616206 39.635430 39.688920 39.753802 39.811250 39.907453 39.990091 40.070520 40.094221 40.154177 40.228616 40.253476 40.265445 40.377369 40.383838 40.456263 40.617967 40.622388 40.733282 40.781150 40.837593 40.862956 40.951742 41.010237 41.055670 41.167639 41.230894 41.364957 41.411809 41.543960 41.591400 41.653697 41.663402 41.698720 41.715715 41.755588 41.775907 41.902202 41.981809 42.013041 42.106998 42.189436 42.194761 42.239831 42.257336 42.321611 42.353201 42.393563 42.470147 42.496643 42.588591 42.644690 42.672953 42.701367 42.787774 42.966320 42.968073 43.032250 43.064686 43.094591 43.096772 43.113208 43.131396 43.213888 43.260209 43.264481 43.398151 43.435378 43.568884 43.708324 43.732812 43.995891 44.001043 44.020350 44.107077 44.172530 44.210365 44.288588 44.371302 44.462003 44.547891 44.602833 44.679612 44.831866 44.946577 45.061130 45.062824 45.110751 45.318781 45.352061 45.411247 45.533553 45.561436 45.691835 45.705107 45.771925 45.840348 45.865808 45.876208 45.913447 46.029985 46.043473 46.078904 46.174522 46.206374 46.285951 46.361251 46.380045 46.394372 46.398237 46.481702 46.600847 46.619969 46.654144 46.683319 46.708366 46.753395 46.818868 46.922210 46.977792 47.025294 47.126423 47.146135 47.279314 47.412967 47.420591 47.528308 47.548125 47.556374 47.629641 47.657177 47.778246 47.890665 47.988974 48.026418 48.074809 48.116702 48.178676 48.220771 48.293441 48.353573 48.439100 48.478978 48.538913 48.591055 48.689349 48.718591 48.798662 48.825900 48.853586 48.886712 48.940218 48.953816 48.999077 49.042560 49.264339 49.416205 49.484497 49.541298 49.837949 50.019134 50.127890 50.192624 50.213505 50.227846 50.274019 50.303404 50.570183 50.652966 50.724951 50.799422 50.911160 51.051824 51.138729 51.227906 51.265971 51.269237 51.354375 51.372523 51.613508 51.699912 51.734861 51.860873 51.896115 51.928170 52.039656 52.077802 52.243673 52.250472 52.383671 52.445215 52.476222 52.506904 52.542136 52.649414 52.688400 52.833922 52.844624 52.989351 53.077081 53.132777 53.149629 53.209154 53.272316 53.323989 53.349675 53.369567 53.478607 53.579348 53.617012 53.722714 53.811017 53.824447 53.922646 54.008504 54.231183 54.291527 54.359606 54.398212 54.429618 54.454101 54.554983 54.564591 54.788141 54.823963 54.840176 55.000219 55.194241 55.374639 55.376848 55.492952 55.537997 55.638311 55.687776 55.691794 55.787411 55.893349 55.959305 55.995981 56.012212 56.076106 56.149555 56.273714 56.288468 56.339968 56.436652 56.498184 56.619243 56.742935 56.765962 56.892633 57.014738 57.079172 57.114897 57.125341 57.151065 57.289663 57.391219 57.463118 57.506158 57.537601 57.628341 57.659138 57.687521 57.801616 57.854304 57.931345 58.135502 58.182233 58.204992 58.261176 58.276137 58.365381 58.429251 58.472192 58.513119 58.558762 58.637283 58.770663 58.818181 58.908358 58.919018 58.932232 58.952615 59.098338 59.223637 59.293223 59.353327 59.377499 59.518645 59.531068 59.557686 59.582164 59.617483 59.702626 59.772798 59.822848 59.954413 60.003596 60.058277 60.091024 60.110451 60.148322 60.150144 60.171391 60.433906 60.514224 60.532391 60.573184 60.682880 60.692559 60.719086 60.728980 60.759989 60.848888 60.869932 60.921010 61.026209 61.069787 61.077180 61.315081 61.446478 61.525933 61.547630 61.604215 61.743716 61.747705 61.851393 62.128884 62.302698 62.447412 62.478636 62.699282 62.740275 62.835200 62.843501 62.928095 63.237071 63.365864 63.482169 63.588868 63.709929 63.783220 63.794849 63.812362 63.947750 63.967300 64.189089 64.222058 64.333028 64.494532 64.565436 64.597993 64.641861 64.656480 64.675580 64.680630 64.740344 64.902460 65.049998 65.142634 65.177127 65.401420 65.604975 65.708733 65.754963 65.850902 65.864410 66.057830 66.096850 66.150442 66.172148 66.182231 66.256631 66.328554 66.415397 66.422161 66.499908 66.544577 66.569837 66.751111 66.868182 66.895372 67.116652 67.183924 67.262344 67.383949 67.473535 67.558569 67.574499 67.606533 67.710841 67.741606 67.891572 67.933204 67.982813 68.087924 68.176273 68.279313 68.303161 68.427862 68.490378 68.689021 68.692732 68.780701 68.810178 68.870153 68.911253 68.938684 68.960030 68.990776 69.115087 69.319515 69.344599 69.383256 69.401688 69.431876 69.493785 69.536118 69.797493 69.846109 69.921326 70.363956 70.414371 70.497122 70.593320 70.690381 70.807000 70.920879 71.126624 71.216751 71.355138 71.533451 71.543689 71.560301 71.719782 71.778896 71.817217 71.820855 71.855246 71.862389 71.898969 71.922948 71.975107 72.006621 72.030501 72.172002 72.196290 72.208119 72.240258 72.300364 72.309977 72.313156 72.352452 72.413135 72.439190 72.457576 72.482983 72.522431 72.529149 72.550212 72.575696 72.599360 72.603667 72.629292 72.630519 72.635012 72.693834 72.724076 72.745050 72.750357 72.760808 72.766458 72.827699 72.903443 72.952634 73.872874 73.938368 74.002545 74.192190 74.227530 74.276587 74.347741 74.357838 74.569248 74.865034 76.045272 76.495439 77.425505 78.313188 80.409473 80.657603 80.757076 80.818240 81.633190 82.057066 82.599016 82.834252 82.906971 83.115932 83.149670 83.511369 83.682708 84.069287 84.104654 84.272381 84.299378 84.312883 84.401057 84.635326 84.786985 84.808716 84.840520 84.872537 85.170947 85.340096 85.380677 85.429795 85.528186 85.531585 85.686965 85.751224 85.789394 85.905610 85.920318 85.948890 86.098724 86.149702 86.197939 86.242086 86.376532 86.446920 86.880511 86.974259 87.013208 87.123500 87.128806 87.166654 87.212668 87.272705 87.438460 87.541263 87.620075 87.740402 87.762536 87.797179 87.934073 87.997072 88.220971 88.475669 88.575530 88.728534 88.836369 88.898423 88.912731 88.980693 89.367150 89.541723 89.891835 89.913790 90.019399 90.147290 90.257972 90.464739 90.531456 90.596477 90.818953 90.885467 91.178959 91.405711 91.955289 92.003531 92.185607 92.384058 92.426816 92.452289 92.458581 92.612543 92.765594 92.815710 92.829566 93.056681 93.874139 94.189853 94.244057 94.421637 94.606790 94.791358 95.119206 95.163926 95.264865 95.382566 95.515532 95.683040 96.031819 96.249691 96.352962 96.420292 96.457460 96.486882 96.912080 97.031053 97.227439 97.263072 97.383750 97.507949 105.636066 107.910158 107.999574 108.109545 108.179277 108.212195 108.646795 108.673487 108.782442 108.806127 109.111287 109.160376 109.264550 109.606109 109.869724 109.890464 110.036463 110.205479 110.730697 111.289984 111.727905 112.226838 112.409381 112.584095 124.898188 125.329192 127.245333 127.373194 127.422413 127.653458 127.945891 128.318104 128.961020 129.005379 129.240100 129.358445 129.634882 129.920153 129.940249 130.008776 130.172549 130.278174 130.297138 130.299270 130.552221 130.773263 130.819422 130.976019 130.997530 131.430652 131.530992 131.533331 132.490512 132.786522 133.284001 133.324216 133.364375 133.549400 133.652574 133.654391 133.762439 133.776488 133.838612 134.108650 134.187560 134.406298 134.408081 134.518148 134.579466 134.614540 134.666745 134.999939 135.007145 135.217699 135.245700 135.581060 135.935553 136.158188 136.207764 136.502310 136.517806 136.686566 136.699812 136.859115 137.299371 137.677741 137.881502 137.955410 138.425692 138.544038 138.708678 138.771204 138.812733 138.994213 139.101099 139.285646 139.676531 139.826349 140.538168 140.595234 140.692017 140.802286 140.836726 140.877740 141.320374 141.394207 141.616140 141.724791 141.835599 141.967385 142.048328 142.199589 142.337186 142.432550 142.521056 142.643259 142.693772 142.968151 143.001074 143.159341 143.259933 143.417446 143.522563 143.533830 143.704379 143.799780 143.929859 144.035775 144.063174 144.266138 144.340924 144.375552 144.521490 144.555626 144.673610 144.768294 144.815722 144.927036 144.994662 145.099376 145.314906 145.378306 145.397034 145.526714 145.553168 145.972805 146.205042 146.281567 146.401246 146.457381 146.458206 146.646520 146.835213 146.917260 147.043652 147.087228 147.137351 147.581575 147.602831 147.710948 148.039509 148.180905 148.604198 148.802379 148.978332 149.046892 149.061984 149.232222 149.293548 149.652786 149.937949 149.965583 150.120943 150.163457 150.498496 150.670792 150.749457 151.078442 151.182358 151.611937 152.486978 152.535475 152.630287 152.794130 152.889380 152.916719 153.014035 153.228537 153.458253 153.676169 153.820294 154.266434 154.419844 154.600597 154.648692 154.816848 154.995567 155.072928 155.142585 155.199996 155.267152 155.438341 155.665839 155.688102 155.775103 155.858349 156.055444 156.105888 156.152906 156.407424 156.783590 156.866435 157.079245 158.429575 158.550926 159.283170 159.517642 159.623241 159.878959 159.919356 160.232112 160.397457 160.940034 160.971130 161.193124 161.260142 161.295108 161.331468 161.389159 161.556638 161.590003 161.592172 161.800165 161.862457 161.982207 162.073896 162.409268 162.527331 162.813389 163.288927 163.388283 163.582956 163.750579 163.840368 163.841300 163.993848 164.044096 164.103844 164.133618 164.227436 164.386592 164.475681 165.174475 165.234626 165.304096 165.936544 165.958772 166.277292 166.431570 166.665823 166.792516 167.260107 167.443664 167.739698 170.431279 170.902893 170.931006 171.261471 171.302952 171.423883 172.109351 172.251777 172.306063 173.222662 173.360825 173.697778 174.136658 174.267608 174.478414 174.699217 175.222031 175.500062 175.638787 175.642930 175.722225 176.034255 176.445907 176.447473 176.543961 177.362768 177.730858 177.809517 178.042662 178.363656 178.842870 178.987692 179.379098 179.483859 179.825836 180.281892 180.356606 180.424440 180.464611 180.834821 180.894251 181.486287 182.430101 182.610735 182.630471 182.988305 183.430865 184.132784 184.401156 184.496464 184.583259 185.577560 186.336292 187.376289 188.036186 188.260290 188.845144 189.253956 189.669995 189.722829 190.868063 191.254293 192.685049 192.734648 192.852177 193.528576 193.775271 195.582351 197.525802 330.940510 331.446821 333.749014 333.791910 334.384032 335.142576 367.825819 368.945811 487.135754 487.138175 487.144823 487.149429 487.167782 487.181007 487.241627 487.262496 487.262819 487.281293 487.293327 487.315322 487.423016 487.447011 487.505327 487.521904 487.647708 487.666609 487.669835 487.692568 489.811010 489.816347 489.831696 489.832134 489.856194 489.873453 489.876272 489.889015 489.936454 489.950684 490.015915 490.038110 490.170253 490.194735 490.200402 490.212702 490.251276 490.275877 490.286196 490.298262 490.311961 490.321943 490.336899 490.343199 490.411675 490.425989 490.497009 490.518309 490.523894 490.541505 490.554677 490.571519 490.668823 490.687337 490.763699 490.780985 490.802361 490.819118 490.821144 490.831326 492.743953 492.765774 492.869333 492.886523 492.989964 493.017235 493.064511 493.071239 493.080594 493.083456 493.239865 493.265895 493.447964 493.467745 493.558608 493.584183 493.714835 493.736902 494.426914 494.443533 496.951310 496.973650 496.992913 497.011962 497.178462 497.196251 497.361897 497.366112 497.382621 497.396876 497.486977 497.520688 497.903405 497.950850 498.041752 498.081011 498.186385 498.213675 498.243643 498.282461 498.379370 498.391145 498.414767 498.429995 498.440813 498.457733 498.475946 498.506025 498.608525 498.619781 498.724234 498.775439 498.809152 498.876841 499.170272 499.242275 499.254893 499.339631 499.469848 499.524599 501.429643 501.447185 501.536500 501.560315 501.614615 501.675957 501.728053 501.763533 501.941221 501.983271 501.995309 502.017331 502.046450 502.052433 502.059012 502.100633 502.166017 502.203470 502.279429 502.299534 941.120936 946.603574 946.879703 947.400356 947.733183 949.842490 950.833243 951.121293 951.454283 952.526723 952.603763 955.296781 955.738041 956.436724 956.857174 957.381506 957.564427 958.199757 959.057737 959.718829 959.757115 960.181287 960.415947 960.447802 961.102979 961.704846 962.133611 962.193207 962.977957 963.073729 963.138125 963.193640 963.298955 963.739413 964.130597 964.806417 965.065917 965.175774 965.952932 966.142064 966.176288 966.302636 967.158963 969.613360 970.170534 971.809557 972.231965 972.845848 973.391539 973.421395 973.496605 974.468197 975.020254 975.922243 976.352028 976.820885 977.440011 977.636765 977.760870 978.554732 979.126115 979.624256 979.914525 991.029814 991.435944 993.255235 994.226856 995.277259 995.868995 996.047444 996.957335 1000.833227 1001.323269 1003.179389 1004.861246 1006.332117 1006.697464 1007.014530 1007.528156 105369.108145 105369.306177 105382.826981 105391.915067 105399.492195 105401.108671 105411.272244 105412.335195 105416.322527 105418.838230 105421.765097 105422.815705 105422.870458 105424.610401 105425.959897 105427.292546 105427.427769 105430.563940 105430.745563 105435.199495</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="5226">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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>
                     <array dataType="xsd:string" dictRef="cc:spin" size="5226">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-44.36521973</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-1207.239696</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-10</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000138308</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00101924092549</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00038916597132</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="107">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="107">2.7243 2.6673 2.7002 2.6908 2.6813 -0.8555 -0.8181 2.1780 -1.1024 2.2344 -1.0527 2.6437 -1.0454 -1.0484 -1.0600 -1.0494 -1.0528 -1.0477 -0.8454 -1.0449 -1.0527 -1.0442 -1.0432 -1.0215 -1.0480 -1.1031 -1.0279 -1.1250 -1.0367 -0.8479 -1.0264 -0.8453 -1.0367 -1.1214 -0.8376 -0.8449 -0.8445 -0.8445 -1.0429 -1.1213 -1.0444 -1.0264 -0.8445 -1.0429 -1.0369 -0.8371 -1.0322 -1.0454 -1.0600 -1.0527 -0.8371 -0.8455 -1.0449 -1.0526 -1.0441 -0.8479 -0.8453 -0.8375 -0.8446 2.7242 2.6819 2.2629 2.6958 2.6999 -1.1204 -1.0485 2.6674 -1.0590 2.7245 2.6816 2.6958 2.7240 2.6674 2.7003 2.6909 2.6814 2.7000 2.6671 -1.0457 -1.0590 -1.0522 -0.8457 -1.0527 -1.0444 -1.0429 2.2389 -1.0369 -1.0322 -0.8450 -1.0484 -1.0471 -1.0439 -0.8457 -0.8450 -1.1204 2.6352 -1.0457 -0.8449 -1.0478 -1.0439 -1.0429 -1.1313 -1.0432 -1.0216 -1.0521 0.3110 0.2985</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="107">0.0061 0.0051 0.0097 0.0054 0.0090 0.0139 -0.0403 0.8833 0.0061 2.4550 0.0015 0.0035 0.0006 0.0274 0.0041 0.0261 0.0007 0.0223 0.0130 0.0008 0.0012 0.0008 0.0473 0.0234 0.0241 -0.0070 -0.0040 -0.0020 0.0585 -0.0024 0.0164 -0.0024 0.0584 -0.0001 -0.0005 -0.0127 0.0124 -0.0123 -0.0459 -0.0001 -0.0017 0.0163 -0.0123 0.0543 -0.0585 -0.0000 0.0483 0.0006 0.0041 0.0007 -0.0000 0.0130 0.0008 0.0012 0.0008 -0.0024 -0.0024 -0.0005 0.0124 0.0003 -0.0100 2.6277 0.0105 -0.0113 0.0002 0.0244 0.0117 -0.0014 0.0003 -0.0100 0.0106 0.0061 0.0051 0.0097 0.0054 0.0090 -0.0113 0.0117 0.0001 -0.0014 -0.0014 0.0172 0.0015 -0.0017 0.0543 -2.4516 -0.0584 0.0482 0.0097 -0.0275 0.0226 0.0015 0.0172 0.0097 0.0002 0.0003 0.0001 -0.0126 -0.0215 0.0015 -0.0459 -0.0095 0.0473 0.0235 -0.0014 0.0009 0.0076</array>
                        <array dataType="xsd:string" dictRef="a:spin" size="214">A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="214">1.0278 1.0280 1.0351 1.0352 1.0293 1.0293 1.0312 1.0314 1.0326 1.0325 0.9527 0.9505 0.9548 0.9556 1.0087 0.9897 0.9531 0.9529 1.0279 0.9867 0.9763 0.9763 1.2110 1.2106 0.9703 0.9704 0.9771 0.9764 0.9751 0.9750 0.9765 0.9758 0.9763 0.9763 0.9710 0.9705 0.9901 0.9899 0.9710 0.9710 0.9762 0.9762 0.9711 0.9711 0.9747 0.9750 0.9779 0.9778 0.9709 0.9704 0.9528 0.9531 0.9744 0.9745 0.9553 0.9551 0.9781 0.9788 0.9896 0.9896 0.9744 0.9747 0.9898 0.9899 0.9781 0.9788 0.9532 0.9532 0.9905 0.9905 0.9899 0.9902 0.9903 0.9900 0.9900 0.9903 0.9750 0.9748 0.9532 0.9532 0.9710 0.9710 0.9744 0.9747 0.9901 0.9903 0.9734 0.9743 0.9788 0.9781 0.9906 0.9906 0.9771 0.9781 0.9703 0.9704 0.9751 0.9750 0.9763 0.9763 0.9905 0.9906 0.9901 0.9899 0.9710 0.9710 0.9762 0.9762 0.9711 0.9711 0.9896 0.9896 0.9898 0.9899 0.9905 0.9905 0.9903 0.9900 1.0279 1.0279 1.0323 1.0325 1.0229 0.9762 1.0306 1.0307 1.0295 1.0294 0.9532 0.9532 0.9764 0.9757 1.0359 1.0356 0.9750 0.9751 1.0279 1.0278 1.0324 1.0325 1.0306 1.0307 1.0278 1.0281 1.0350 1.0352 1.0292 1.0293 1.0311 1.0314 1.0325 1.0324 1.0294 1.0294 1.0360 1.0357 0.9704 0.9703 0.9750 0.9751 0.9762 0.9763 0.9899 0.9895 0.9763 0.9763 0.9710 0.9710 0.9734 0.9743 0.9853 1.0264 0.9788 0.9781 0.9771 0.9781 0.9902 0.9899 0.9764 0.9771 0.9708 0.9703 0.9712 0.9711 0.9898 0.9895 0.9902 0.9899 0.9532 0.9532 1.2111 1.2110 0.9704 0.9703 0.9899 0.9902 0.9706 0.9710 0.9712 0.9711 0.9750 0.9748 0.9546 0.9549 0.9747 0.9750 0.9779 0.9778 0.9762 0.9763 0.2956 0.2942 0.3014 0.2943</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="214">3.0404 3.0401 3.0509 3.0497 3.0453 3.0430 3.0444 3.0432 3.0498 3.0481 2.4652 2.4562 2.4176 2.4570 3.0408 3.0269 2.5822 2.5764 3.0609 3.0231 2.5350 2.5335 3.5623 3.5592 2.5390 2.5383 2.5450 2.5182 2.5426 2.5385 2.5457 2.5202 2.5346 2.5341 2.5493 2.5274 2.4200 2.4071 2.5373 2.5367 2.5349 2.5338 2.5368 2.5361 2.5535 2.5105 2.5271 2.5059 2.5504 2.5268 2.5764 2.5831 2.5244 2.5282 2.5865 2.5888 2.5518 2.4960 2.4141 2.4165 2.5304 2.5161 2.4124 2.4148 2.5518 2.4960 2.5877 2.5878 2.4086 2.4091 2.4070 2.4196 2.4191 2.4068 2.4068 2.4190 2.5109 2.5525 2.5877 2.5878 2.5358 2.5376 2.5303 2.5161 2.4068 2.4190 2.5579 2.5077 2.4961 2.5519 2.4086 2.4086 2.5457 2.4996 2.5391 2.5383 2.5426 2.5385 2.5346 2.5341 2.4086 2.4086 2.4201 2.4071 2.5373 2.5367 2.5349 2.5338 2.5367 2.5361 2.4141 2.4165 2.4125 2.4148 2.4086 2.4091 2.4191 2.4068 3.0403 3.0403 3.0480 3.0498 3.0598 3.0152 3.0452 3.0431 3.0429 3.0454 2.5874 2.5872 2.5444 2.5205 3.0508 3.0489 2.5394 2.5407 3.0402 3.0402 3.0480 3.0499 3.0452 3.0431 3.0405 3.0401 3.0509 3.0496 3.0453 3.0430 3.0443 3.0432 3.0498 3.0481 3.0429 3.0454 3.0508 3.0490 2.5388 2.5388 2.5394 2.5406 2.5333 2.5348 2.4227 2.4055 2.5350 2.5335 2.5358 2.5376 2.5580 2.5077 3.0227 3.0602 2.4962 2.5519 2.5456 2.4996 2.4180 2.4084 2.5181 2.5451 2.5494 2.5272 2.5371 2.5355 2.4227 2.4056 2.4180 2.4084 2.5873 2.5872 3.5647 3.5647 2.5388 2.5388 2.4070 2.4196 2.5278 2.5489 2.5370 2.5355 2.5110 2.5526 2.5867 2.5965 2.5535 2.5105 2.5271 2.5059 2.5333 2.5348 0.0494 0.0499 0.0532 0.0526</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="214">1.5568 1.5508 1.5673 1.5634 1.5644 1.5572 1.5661 1.5617 1.5657 1.5586 0.0168 0.0141 0.0165 0.0166 2.8031 1.9528 0.0189 0.0189 3.5215 1.1455 0.0157 0.0158 0.4066 0.4066 0.0137 0.0138 0.0158 0.0160 0.0144 0.0145 0.0156 0.0158 0.0158 0.0157 0.0148 0.0148 0.0190 0.0192 0.0145 0.0144 0.0158 0.0157 0.0146 0.0144 0.0170 0.0125 0.0176 0.0154 0.0147 0.0147 0.0188 0.0189 0.0131 0.0131 0.0196 0.0196 0.0177 0.0143 0.0191 0.0190 0.0166 0.0142 0.0192 0.0192 0.0177 0.0143 0.0197 0.0197 0.0194 0.0194 0.0192 0.0190 0.0191 0.0193 0.0193 0.0191 0.0125 0.0171 0.0197 0.0198 0.0145 0.0144 0.0166 0.0142 0.0193 0.0191 0.0172 0.0123 0.0143 0.0177 0.0194 0.0194 0.0175 0.0143 0.0137 0.0138 0.0144 0.0145 0.0158 0.0157 0.0194 0.0194 0.0190 0.0192 0.0145 0.0144 0.0158 0.0157 0.0146 0.0144 0.0191 0.0190 0.0192 0.0192 0.0194 0.0194 0.0191 0.0193 1.5540 1.5538 1.5581 1.5660 3.5997 1.0634 1.5658 1.5575 1.5565 1.5652 0.0198 0.0198 0.0157 0.0158 1.5698 1.5603 0.0144 0.0144 1.5540 1.5537 1.5582 1.5660 1.5658 1.5575 1.5569 1.5508 1.5673 1.5634 1.5644 1.5572 1.5661 1.5617 1.5657 1.5586 1.5565 1.5652 1.5698 1.5604 0.0137 0.0137 0.0144 0.0144 0.0158 0.0157 0.0189 0.0192 0.0157 0.0158 0.0145 0.0144 0.0172 0.0123 1.1468 3.5198 0.0143 0.0177 0.0175 0.0143 0.0191 0.0193 0.0160 0.0158 0.0147 0.0148 0.0145 0.0146 0.0189 0.0192 0.0191 0.0193 0.0198 0.0198 0.4068 0.4066 0.0137 0.0137 0.0192 0.0190 0.0148 0.0148 0.0145 0.0146 0.0125 0.0171 0.0196 0.0190 0.0170 0.0125 0.0176 0.0154 0.0158 0.0157 0.0000 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="214">7.0159 7.0158 7.0157 7.0156 7.0157 7.0155 7.0157 7.0156 7.0158 7.0156 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 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 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 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 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7.0159 7.0159 7.0156 7.0158 0.0000 0.0000 7.0158 7.0155 7.0155 7.0157 0.0000 0.0000 0.0000 0.0000 7.0157 7.0156 0.0000 0.0000 7.0159 7.0159 7.0156 7.0158 7.0158 7.0155 7.0159 7.0158 7.0157 7.0156 7.0158 7.0155 7.0157 7.0156 7.0158 7.0156 7.0155 7.0157 7.0157 7.0156 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 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 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 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">-24.823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">321</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="7">88.30 1.36 1.35 1.28 1.21 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="7">1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="7">S S S D:x2-y2 D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -6.750 -6.750 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 2.00 1.00 1.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">39 95 51 101 103 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O O Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">322</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">17.69 17.38 12.70 12.44 10.67 10.50 3.08 3.01 2.48 2.43 2.18 2.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">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="12">27 61 43 54 35 97 98 36 60 25 45 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-24.769</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">323</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.06 15.98 14.75 14.63 7.43 7.37 4.79 4.77 3.04 3.03 2.44 2.43</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">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="12">51 95 74 76 56 81 82 57 75 91 83 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-17.043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">324</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.66 9.28 9.23 9.05 8.80 7.86 4.65 4.49 4.49 4.42 4.34 4.28 4.28 4.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:y P:y P:x S S P:z S S S P:z P:z S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -15.731 3.851 -10.027 -26.921 -26.921 -26.921 -10.027 -10.027 -26.921 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 2.00 0.00 1.33 2.00 2.00 2.00 1.33 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">96 72 90 23 105 105 96 90 72 23 90 72 96 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P P 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">-17.007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.03 9.40 9.37 9.27 8.92 7.77 4.50 4.50 4.46 4.45 4.42 4.35 4.32 4.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:y P:y P:x S S S S P:z S P:z P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -15.731 3.851 -26.921 -26.921 -10.027 -26.921 -10.027 -10.027 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 2.00 0.00 2.00 2.00 1.33 2.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">40 52 46 38 104 104 52 46 38 38 40 46 52 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P P 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">-14.753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">326</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">19.24 13.42 12.53 6.75 4.94 4.93 3.83 2.83 2.23 2.22 2.20 2.05 1.22 1.19 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 2 1 1 3 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:z P:z P:x P:x P:x P:x P:x P:y P:y S D:xz P:z P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -26.921 -6.750 -10.027 -5.665 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 1.33 2.00 1.00 1.33 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">96 96 23 105 90 72 105 23 90 72 96 102 73 105 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P O O P O O O O Tc O P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">327</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">14.80 14.59 13.78 7.70 7.04 5.66 5.65 4.30 1.98 1.44 1.29 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 2 1 1 1 3 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:z P:z P:x P:x P:x P:x P:x P:x S S D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 2.733 -26.921 -26.921 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.00 2.00 2.00 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">38 40 40 104 38 52 46 104 40 38 100 28 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O P O O O P O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.644</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">328</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.43 14.32 9.87 9.69 8.95 6.00 5.83 3.27 1.85 1.85 1.34 1.34 1.19 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">90 72 72 90 105 96 23 105 72 90 11 6 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">329</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.39 14.35 9.87 9.74 8.94 5.93 5.76 3.26 1.84 1.84 1.36 1.35 1.21 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">46 52 52 46 104 38 40 104 52 46 14 1 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">330</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">15.96 10.36 10.30 5.97 4.81 3.95 3.88 3.85 3.14 2.43 2.37 2.23 1.52 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 2 1 1 1 1 1 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:y P:y P:z P:x P:x P:y P:y P:x P:z P:z P:z S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 2.733 -5.665 -26.921 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">23 90 72 105 96 38 46 52 40 23 105 104 23 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O P O O O O O O P P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.596</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">331</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">12.95 11.60 11.57 8.46 6.64 5.27 3.37 3.36 2.65 1.94 1.53 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 2 1 1 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">P:x P:y P:y P:x P:z P:x P:y P:y P:z P:z P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 2.733 -5.665 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.00 1.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">38 46 52 40 104 23 90 72 104 105 96 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O P O O O P P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">332</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">5.75 5.72 4.73 4.71 4.56 4.09 3.04 3.01 2.98 2.95 2.06 2.05 1.86 1.86 1.86 1.85 1.62 1.61 1.57 1.57 1.56 1.55 1.55 1.55 1.51 1.51 1.45 1.45 1.41 1.40 1.27 1.27 1.16 1.15 1.15 1.13 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:xz D:xz P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:z P:x P:z D:yz D:yz D:yz D:yz P:y P:x P:x P:y D:xz D:xz P:x P:x P:y P:y P:x P:x D:x2-y2 D:x2-y2 P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">6 11 86 85 73 93 53 80 94 87 77 99 94 79 87 24 7 12 10 20 87 53 80 94 6 11 99 77 80 53 79 24 8 13 99 77 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W O O O O O O O O O O O O O O W W W W O O O O W W O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">333</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">5.73 5.73 4.75 4.60 4.41 4.27 3.09 3.08 2.93 2.93 1.96 1.95 1.91 1.91 1.85 1.85 1.61 1.61 1.59 1.59 1.57 1.57 1.54 1.53 1.50 1.50 1.43 1.42 1.41 1.41 1.30 1.30 1.09 1.09 1.09 1.09 1.09 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">D:xz D:xz P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x D:yz D:yz D:yz D:yz P:x P:x P:y P:y D:xz D:xz P:y P:y P:x P:x P:x P:x P:y D:x2-y2 D:x2-y2 P:y P:y P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">1 14 26 28 37 30 32 65 34 67 66 33 62 29 67 34 5 18 2 15 32 65 67 34 1 14 65 32 66 33 29 62 33 4 17 66 29 62 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">W W O O O O O O O O O O O O O O W W W W O O O O W W O O O O O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">334</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">6.01 5.79 5.08 4.47 3.32 3.31 2.86 2.85 2.80 2.78 2.56 2.55 1.87 1.85 1.82 1.80 1.69 1.68 1.62 1.61 1.59 1.58 1.55 1.55 1.37 1.37 1.33 1.33 1.32 1.32 1.28 1.26 1.21 1.19 1.14 1.13 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:x P:x D:yz D:yz D:yz D:yz P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">93 86 73 85 53 80 79 24 94 87 77 99 6 11 80 53 87 94 94 87 53 80 10 20 7 12 79 24 99 77 24 79 99 77 9 19 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O W W O O O O O O O O W W W W O O O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">335</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">5.97 5.70 4.89 4.77 3.20 3.19 2.91 2.90 2.81 2.80 2.57 2.56 1.86 1.85 1.76 1.76 1.75 1.75 1.71 1.71 1.54 1.54 1.49 1.49 1.45 1.45 1.36 1.35 1.31 1.31 1.25 1.24 1.21 1.20 1.14 1.14 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:x P:x D:yz D:yz D:yz D:yz P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">30 37 28 26 32 65 67 34 62 29 66 33 1 14 67 65 32 34 67 34 65 32 2 15 18 5 66 33 29 62 29 62 33 66 3 16 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O W W O O O O O O O O W W W W O O O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.737</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.13 7.20 7.17 4.93 4.87 4.44 2.67 2.60 2.42 2.34 2.30 2.06 2.02 1.79 1.46 1.46 1.43 1.43 1.39 1.34 1.32 1.31 1.30 1.29 1.25 1.25 1.24 1.17 1.16 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x D:yz P:x P:x D:yz P:x P:z P:z P:z P:z P:z P:z P:z P:z D:xz P:x P:x D:x2-y2 P:y D:x2-y2 D:xz P:x P:x D:xz D:x2-y2 P:y P:y D:x2-y2 D:xz P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">25 101 60 61 100 27 97 41 35 45 54 43 36 98 16 41 97 5 41 2 3 45 35 17 18 45 97 15 4 35 36 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O Tc O O Tc O O O O O O O O O W O O W O W W O O W W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.725</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">10.48 9.49 4.19 3.72 2.62 2.55 2.33 2.30 2.27 2.13 2.06 2.03 1.93 1.88 1.88 1.75 1.66 1.48 1.41 1.26 1.25 1.23 1.19 1.15 1.14 1.11 1.10 1.09 1.05 1.05 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z D:x2-y2 P:z D:x2-y2 D:x2-y2 P:z D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x P:x P:y D:xz P:y P:x P:y D:xz D:xz D:xz P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.00 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">60 25 27 61 45 98 41 36 43 35 15 54 18 2 97 5 100 101 45 98 41 45 3 35 36 41 4 18 16 35 98 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O W O W W O W Tc Tc O O O O W O O O W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">338</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">8.33 7.78 7.72 4.80 4.78 3.53 3.28 3.24 2.66 2.63 1.66 1.64 1.56 1.55 1.54 1.53 1.53 1.51 1.47 1.46 1.45 1.43 1.29 1.28 1.21 1.20 1.13 1.12 1.09 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:yz P:x P:x P:x P:x D:yz P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:xz P:z D:xz P:z P:y P:y P:y P:y P:x P:x P:x P:x D:xz D:xz D:x2-y2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">102 75 91 74 76 103 56 81 83 59 82 57 20 10 8 51 13 95 59 83 81 56 83 59 56 81 9 19 12 7 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc O O O O Tc O O O O O O W W W O W O O O O O O O O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">339</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">10.40 10.34 3.99 3.95 2.54 2.54 2.39 2.38 2.13 2.12 2.02 2.02 1.74 1.73 1.53 1.48 1.48 1.37 1.34 1.34 1.33 1.25 1.23 1.20 1.19 1.12 1.11 -1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:x P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:y P:x P:y P:x P:y P:y D:xz D:xz P:x P:x S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -5.732 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">91 75 76 74 83 59 81 56 10 20 82 57 7 12 102 95 51 59 59 83 83 81 56 13 8 57 82 103 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O W W O O W W Tc O O O O O O O O W W O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.452</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">340</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.02 8.01 4.80 4.74 3.42 3.36 2.83 2.78 2.68 2.67 2.42 2.42 2.40 2.40 2.03 1.98 1.93 1.92 1.71 1.70 1.65 1.65 1.64 1.62 1.56 1.55 1.25 1.25 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:z P:z P:x P:x P:x P:y P:x P:y P:z P:z P:x P:x P:y P:y D:xz D:xz P:x P:x P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">6 11 53 80 94 87 79 24 53 80 94 80 87 53 77 99 79 24 87 94 11 6 77 99 24 79 76 74 77 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O O O W W 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">-13.450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.13 8.12 4.69 4.66 3.58 3.56 2.75 2.73 2.62 2.62 2.53 2.53 2.31 2.30 2.09 2.08 1.87 1.87 1.85 1.84 1.78 1.78 1.67 1.67 1.47 1.47 1.21 1.20 1.13 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x D:xz D:xz P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 14 32 65 34 67 62 29 34 67 32 65 65 32 66 33 67 34 62 29 33 66 1 14 29 62 33 66 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">342</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.55 4.38 4.17 4.04 3.58 3.57 3.54 3.53 3.45 3.43 3.07 3.05 2.45 2.44 1.87 1.81 1.56 1.52 1.25 1.20 1.09 1.09 1.09 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">94 87 77 99 6 11 24 79 53 80 94 87 80 53 94 87 77 99 77 99 53 24 79 80 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O W W 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">-13.343</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">343</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.24 4.24 3.92 3.90 3.73 3.70 3.69 3.65 3.57 3.57 2.94 2.91 2.57 2.56 1.72 1.72 1.45 1.43 1.19 1.18 1.17 1.17 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 34 33 66 62 32 29 65 1 14 67 34 65 32 67 34 33 66 32 65 62 29 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W W 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">-13.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">13.19 10.10 7.40 5.81 2.36 2.24 2.14 2.07 1.93 1.88 1.87 1.85 1.83 1.83 1.79 1.75 1.70 1.69 1.56 1.54 1.32 1.32 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:y P:z P:z D:x2-y2 D:x2-y2 P:z D:yz P:z D:yz P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">86 93 85 73 87 94 8 13 99 12 53 7 77 80 79 24 9 19 10 20 13 8 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W W O W O W O O O O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.305</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">345</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.35 11.24 7.13 6.19 2.22 2.18 2.02 2.00 1.92 1.90 1.89 1.88 1.88 1.86 1.81 1.80 1.79 1.78 1.59 1.58 1.23 1.22 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz P:z D:yz D:yz D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">30 37 28 26 65 32 3 16 34 67 29 17 4 62 66 15 2 33 5 18 16 3 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W O O O W W O O W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.268</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">346</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">14.57 11.38 9.70 7.19 2.21 2.17 2.12 2.11 1.49 1.47 1.45 1.45 1.44 1.42 1.39 1.38 1.18 1.14 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:y P:z P:z D:yz D:yz P:z D:yz D:yz D:x2-y2 P:z D:x2-y2 D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">93 86 73 85 80 53 20 10 87 12 7 9 94 19 19 9 8 13 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W W O W W W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">347</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.58 12.48 8.73 8.06 1.86 1.86 1.85 1.83 1.74 1.74 1.66 1.66 1.45 1.44 1.36 1.34 1.22 1.21 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:y D:yz D:yz P:z P:z P:z P:z D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">37 30 26 28 5 18 34 67 65 32 15 2 4 17 17 4 3 16 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W W O O O O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">348</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.33 8.21 7.44 7.36 2.86 2.84 2.47 2.45 2.12 2.04 2.03 2.01 1.99 1.98 1.83 1.82 1.61 1.61 1.37 1.36 1.29 1.08 1.07 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y D:xz D:xz D:xz D:xz P:x P:x P:z P:z P:z P:z D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 60 61 27 97 35 54 43 40 38 17 4 16 3 52 46 41 45 36 98 101 2 5 15 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W W W W O O O O O O Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.168</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">349</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.38 8.34 7.39 7.37 3.09 3.08 2.97 2.31 2.31 1.96 1.96 1.88 1.87 1.71 1.71 1.48 1.48 1.48 1.28 1.28 1.20 1.19 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:z P:z P:y D:xz D:xz P:z P:z P:x P:x D:xz D:xz P:z P:z P:y P:z P:z D:x2-y2 D:x2-y2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">91 75 76 74 56 81 96 13 8 51 95 90 72 9 19 82 57 23 83 59 10 20 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W W O O O O W W O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.107</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">350</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.68 9.67 8.91 8.87 3.74 1.94 1.93 1.93 1.91 1.62 1.61 1.53 1.52 1.35 1.33 1.17 1.16 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:x P:x P:z D:xz P:z D:xz P:z P:x P:x D:xz D:xz P:z P:z P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">75 91 74 76 21 8 56 13 81 56 81 9 19 51 95 81 56 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O W O W O O O W W O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.100</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">351</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.78 9.69 9.46 9.35 2.27 2.23 1.96 1.93 1.78 1.76 1.73 1.70 1.63 1.58 1.58 1.24 1.24 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:x P:x P:z P:z D:xz D:xz D:xz D:xz P:z P:z P:z P:y P:y P:x P:x D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">60 25 27 61 35 97 3 16 4 17 43 54 22 35 97 98 36 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W W W W 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">-12.977</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">352</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">20.97 5.58 5.41 5.15 5.14 4.76 4.25 3.66 2.44 1.83 1.48 1.23 1.20 1.19 1.11 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z D:z2 S P:x P:z P:z D:x2-y2 P:x D:xz S P:z P:z P:y P:y S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -6.750 -6.581 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -26.921 -10.027 -10.027 -10.027 -10.027 3.073 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.00 1.00 1.33 1.33 1.33 1.00 1.33 1.00 2.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">21 102 107 21 23 96 102 96 102 21 73 85 83 59 107 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O Tc H O O O Tc O Tc O O O O O H O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">353</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.22 3.21 3.21 3.20 3.15 3.14 2.99 2.27 2.09 2.08 2.07 2.02 2.01 1.91 1.75 1.74 1.74 1.73 1.65 1.65 1.63 1.63 1.63 1.62 1.32 1.32 1.32 1.32 1.28 1.27 1.08 1.07 1.07 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x D:z2 D:z2 P:x P:x D:z2 P:x D:z2 P:x P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y D:xy D:xy D:xy P:z D:xy P:z P:y P:y P:y P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">65 32 1 14 67 34 101 26 100 62 29 66 33 28 45 41 60 25 35 97 43 54 18 5 15 25 2 60 98 36 27 30 61 37 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O W W O O Tc O Tc O O O O O O O O O O O O O W W W O W 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">-12.920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">354</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.39 3.16 3.15 3.09 3.08 3.00 3.00 2.79 2.72 2.72 2.48 2.47 2.46 2.14 2.13 2.10 2.10 2.09 1.90 1.90 1.79 1.72 1.36 1.36 1.31 1.30 1.30 1.29 1.24 1.23 1.20 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z D:z2 D:z2 P:y P:y P:x P:x D:x2-y2 P:x P:x P:x P:x P:x P:y P:y P:x P:x P:z D:xy D:xy P:x D:z2 D:xy D:xy P:y P:y P:z P:z D:yz D:yz D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">21 6 11 56 81 53 80 102 99 77 94 87 73 75 91 24 79 86 20 10 85 102 12 7 83 59 59 83 8 13 102 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W W O O O O Tc O O O O O O O O O O W W O Tc W W O O O O W W Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">355</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">12.74 8.72 5.93 5.60 3.60 3.06 1.77 1.65 1.62 1.48 1.48 1.40 1.39 1.37 1.33 1.30 1.25 1.21 1.20 1.12 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z D:x2-y2 P:x S P:z P:x D:xz P:x P:y P:y D:xy D:xy S P:y P:y P:z P:z P:z D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -6.581 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -26.921 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 2.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">22 40 100 22 106 38 40 100 28 25 60 2 15 22 52 46 28 41 45 101 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc O H O O Tc O O O W W O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">12.50 7.23 7.21 5.45 2.55 2.53 2.36 2.27 2.25 1.95 1.94 -1.90 1.89 1.39 1.38 1.28 1.28 1.15 1.10 1.09 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:y P:y P:y D:yz D:x2-y2 D:x2-y2 P:y P:y P:y D:yz P:y P:y D:xz D:xz D:yz P:y D:xy P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -4.411 -4.411 -10.027 -10.027 2.733 -6.750 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.80 0.80 1.33 1.33 0.00 1.00 1.33 1.33 0.80 0.80 1.00 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">96 90 72 23 53 80 105 6 11 63 58 105 102 77 99 7 12 103 93 102 89 84 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O P W W O O P Tc O O W W Tc O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">357</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.72 7.42 6.88 6.86 2.90 2.79 2.20 2.19 2.18 1.88 1.88 -1.74 1.62 1.61 1.52 1.52 1.45 1.44 1.29 1.27 1.20 1.19 1.11 1.10 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y D:yz D:yz D:x2-y2 D:x2-y2 D:yz P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z D:xz D:xz D:xz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -4.411 -4.411 11.931 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.00 1.00 0.80 0.80 0.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">40 38 46 52 101 100 14 1 104 47 70 104 65 32 67 34 98 36 45 41 18 5 15 2 60 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O Tc Tc W W P O O P O O O O O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">358</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.22 7.20 3.66 1.99 1.96 1.77 1.42 1.35 1.30 1.19 1.17 1.17 1.16 1.15 1.14 1.14 1.04 1.04 1.03 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:y P:y D:xz P:x P:x D:z2 P:z P:x P:x P:y P:y P:x P:x P:x P:x D:x2-y2 P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">72 90 21 90 72 102 23 73 105 22 53 80 91 75 94 87 83 59 103 80 86 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O Tc O O P O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.757</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">359</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.68 10.67 2.67 1.81 1.81 1.80 1.80 1.69 1.61 -1.37 1.34 1.34 1.27 1.16 1.16 1.06 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:z P:z P:z P:z P:z D:x2-y2 P:z P:z P:z P:z P:z P:z P:x P:z P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">46 52 40 61 27 72 90 104 37 104 42 68 38 30 38 67 34 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O P O P 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">-12.737</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">360</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">6.67 4.67 4.38 4.19 4.18 3.60 2.92 1.53 1.42 1.42 1.32 1.17 -1.15 1.10 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:z P:z P:z P:z P:z P:z S P:z P:z D:x2-y2 P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -10.027 11.931 -10.027 2.733 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.33 0.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">21 96 23 72 90 22 38 107 52 46 105 40 105 39 22 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O H O O P O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">361</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.36 6.43 4.44 3.54 3.42 2.86 2.36 2.35 2.33 1.92 1.49 1.47 1.40 1.28 1.18 1.12 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:z P:z P:z P:x P:x P:x S P:x P:z D:x2-y2 P:z S D:xz D:xz S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -10.027 -6.750 -10.027 -6.581 -6.750 -6.750 -26.921 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.00 1.00 1.00 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">22 21 38 96 38 22 52 106 46 23 101 40 107 102 100 22 41 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O H O O Tc O H Tc Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">362</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.92 7.56 4.42 4.39 3.35 3.34 3.03 2.45 2.28 2.26 2.08 2.07 1.91 1.89 1.68 1.68 1.48 1.48 1.46 1.41 1.38 1.37 1.37 1.36 1.33 1.21 1.21 1.18 1.17 1.17 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:yz D:yz P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z D:xy D:xz D:xz P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">100 101 43 54 35 97 38 40 54 43 97 35 98 36 45 41 101 4 17 35 45 43 97 54 41 98 36 98 37 36 41 45 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">Tc Tc O O O O O O O O O O O O O O Tc W W 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">-12.687</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">363</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.54 6.36 6.35 3.84 3.69 3.48 3.48 2.79 2.78 2.02 1.91 1.91 1.66 1.66 1.47 1.47 1.45 1.45 1.27 1.25 1.18 1.09 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:x P:y P:y P:y P:y P:x P:x D:xy P:x P:x P:y P:y D:xy D:xy P:x P:x P:y D:yz P:y D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">23 90 72 86 96 94 87 91 75 105 81 56 79 24 6 11 74 76 93 102 73 102 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O P O O O O W W O O O Tc O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.658</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">364</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.09 8.08 7.61 7.57 3.28 3.27 2.84 2.81 2.35 2.23 2.23 2.15 2.14 2.12 2.11 1.88 1.86 1.72 1.72 1.52 1.51 1.29 1.29 1.23 1.23 1.22 1.21 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:x P:x P:x P:x P:y P:y D:xy P:y P:y P:x P:x P:y P:y D:xy D:xy P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">40 38 46 52 60 25 30 37 104 34 67 27 61 32 65 1 14 66 33 29 62 54 43 98 36 35 97 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O P O O O O O O W W 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">-12.642</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">365</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.36 7.76 4.71 4.67 3.68 3.68 3.25 3.07 3.05 2.67 2.64 2.12 2.10 2.10 2.09 2.00 1.98 1.89 1.89 1.83 1.83 1.71 1.70 1.40 1.39 1.27 1.26 1.17 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:yz P:z P:z P:x P:x P:y P:z P:z P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x D:xz D:xz D:xy P:y P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">103 102 51 95 51 95 96 56 81 95 51 83 59 82 57 81 56 83 59 9 19 102 93 57 82 59 83 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc Tc O O O O O O O O O O O O O O O O O W W Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">366</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.15 11.13 7.68 4.38 2.83 2.83 2.35 -2.00 1.80 1.56 1.55 1.43 1.40 1.16 1.14 1.14 1.08 1.08 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:x P:x D:xy D:xy D:xz P:x P:z P:x P:x P:z D:xz D:x2-y2 P:x P:x D:z2 P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 11.931 2.733 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.00 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">90 72 23 96 6 11 105 105 21 51 95 22 102 103 59 83 9 58 63 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W W P P O O O O Tc Tc O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.533</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">367</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">16.02 7.91 6.55 6.54 3.56 2.97 2.16 2.16 2.11 1.59 1.59 1.45 1.41 1.26 1.26 -1.18 1.13 1.13 1.09 1.04 1.04 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:x P:x S P:x P:x P:x S D:xy D:xy D:xz P:x D:z2 D:z2 P:x P:z P:x D:xz P:x P:x S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -10.027 -10.027 -26.921 -4.411 -4.411 11.931 -0.512 -4.411 -4.411 2.733 -10.027 -10.027 -6.750 -10.027 -10.027 3.073 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 2.00 0.80 0.80 0.00 0.00 0.80 0.80 0.00 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">22 40 46 52 106 22 43 54 22 1 14 104 100 4 17 104 38 38 100 42 68 106 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O H O O O O W W P Tc W W P O O Tc O O H O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.462</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">368</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.36 5.35 4.45 4.39 4.29 4.26 2.34 2.30 2.28 2.26 1.93 1.78 1.78 1.68 1.68 1.67 1.65 1.46 1.40 1.39 1.29 1.29 1.23 1.22 1.21 1.21 1.09 1.08 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:z P:z P:z P:z P:z P:z D:x2-y2 P:z P:x P:z P:z P:y P:y P:z P:z P:x P:x P:x P:z P:z P:y P:y P:y P:y D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">35 97 43 54 98 36 40 35 100 97 38 38 28 43 54 45 41 30 43 54 46 52 45 41 27 61 2 15 29 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O Tc O O O O O O O O O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">369</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.86 4.84 4.71 4.69 4.60 4.59 2.49 2.48 2.48 2.47 2.47 2.47 2.20 2.19 1.88 1.88 1.44 1.38 1.37 1.35 1.35 1.09 1.09 1.07 1.06 1.05 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x D:z2 D:z2 P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:xy P:x P:x P:x P:x D:z2 D:z2 D:xz D:xz D:x2-y2 D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">32 65 1 14 34 67 33 66 25 29 60 62 67 34 32 65 101 29 62 33 66 16 3 2 15 1 14 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O W W O O O O O O O O O O O O Tc O O O O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.423</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">370</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.82 4.75 4.71 4.70 4.45 4.38 2.73 2.72 2.37 2.29 2.29 2.18 2.18 2.15 1.75 1.68 1.54 1.46 1.29 1.26 1.25 1.22 1.19 1.16 1.12 1.10 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x D:z2 D:z2 P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y D:z2 D:z2 D:xz P:x D:xz P:x D:xy P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -6.750 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">53 80 6 11 94 87 24 79 94 91 87 77 99 75 53 80 77 99 23 9 19 10 79 20 24 102 56 7 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O W W O O O O O O O O O O O O O O O W W W O W O Tc O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.413</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">371</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.02 4.00 3.71 3.71 3.07 3.01 2.65 2.61 2.51 2.45 2.29 2.28 2.28 2.22 2.17 2.11 2.01 1.89 1.67 1.61 1.29 1.24 1.24 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:y P:y P:z P:z P:z P:z D:xy D:x2-y2 D:xy P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -6.750 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">81 56 95 51 83 59 82 57 95 51 86 93 81 56 74 76 75 91 96 23 8 102 13 72 90 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O W Tc W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.375</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">372</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.58 4.09 3.91 3.29 3.29 3.24 3.24 2.56 2.54 2.51 2.51 2.30 2.29 2.23 1.85 1.85 1.84 1.83 1.63 1.62 1.62 1.53 1.53 1.44 1.27 1.26 1.13 1.12 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:y P:y D:xy D:xy P:y P:y D:xy D:xy D:xy D:xy P:x P:y P:y P:z P:z P:z P:y P:y P:y P:y D:x2-y2 P:x P:x D:yz D:yz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">37 26 30 27 61 17 4 60 25 3 16 18 5 28 41 45 54 43 37 32 65 43 54 100 67 34 1 14 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O W W O O W W W W O O O O O O O O O O Tc O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">373</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">3.93 3.91 3.78 2.83 2.27 2.26 2.24 2.10 1.85 1.85 1.81 1.78 1.75 1.73 1.73 1.73 1.68 1.65 1.64 1.63 1.56 1.56 1.54 1.52 1.50 1.48 1.47 1.44 1.44 1.35 1.29 1.26 1.25 1.12 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:x P:x D:x2-y2 D:xy D:xy P:x P:y P:y P:y P:y P:z P:z P:y P:y P:x P:y P:x P:y D:xy D:xy P:x D:xy D:xy D:yz D:yz P:z P:z P:z P:x P:z P:x D:xz D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">56 81 86 85 102 8 13 93 82 57 75 91 51 95 80 53 87 74 94 76 9 19 73 12 7 11 6 83 59 73 80 86 53 12 7 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O Tc W W O O O O O O O O O O O O O W W O W W W W O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">374</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.87 3.78 3.70 3.70 3.55 3.05 3.05 3.05 2.71 2.62 2.61 2.29 2.28 2.13 2.09 2.09 1.90 1.70 1.70 1.44 1.43 1.22 1.21 1.21 1.20 1.20 1.18 1.09 1.08 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:x2-y2 D:z2 P:y P:y P:z P:z P:z P:z D:z2 P:z P:z P:y P:y P:z P:y P:y P:x D:xy D:xy D:z2 D:z2 D:yz D:yz D:xy D:xy P:y P:y P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">101 101 43 54 30 37 41 45 100 97 35 98 36 26 35 97 28 14 1 5 18 3 16 15 2 66 33 34 67 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc Tc O O O O O O Tc O O O O O O O O W W W W W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">375</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.66 4.40 4.21 2.68 2.67 2.61 2.22 2.21 1.95 1.94 1.93 1.93 1.68 1.66 1.63 1.62 1.62 1.61 1.51 1.50 1.44 1.44 1.42 1.34 1.33 1.14 1.14 1.14 1.12 1.11 1.09 1.08 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">D:z2 P:z P:z P:y P:y P:z P:y P:y D:yz P:y P:y D:yz D:yz D:yz D:z2 D:z2 P:z P:z D:xy D:xy P:z P:z P:x P:y P:y P:z D:x2-y2 P:z P:x D:x2-y2 P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">102 93 86 56 81 85 83 59 9 51 95 19 8 13 7 12 95 51 11 6 57 82 93 94 87 24 102 79 73 103 87 94 77 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">Tc O O O O O O O W O O W W W W W O O W W O O O O O O Tc O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">376</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.53 2.69 2.65 2.65 2.63 2.44 2.43 2.36 2.31 2.30 2.12 2.12 1.87 1.87 1.56 1.55 1.49 1.48 1.42 1.33 1.33 1.15 1.15 1.13 1.12 1.11 1.11 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z D:yz D:yz D:xz D:yz D:yz P:z P:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:z D:x2-y2 D:x2-y2 P:y P:y D:yz D:yz P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">30 28 3 16 101 1 14 37 35 97 70 47 32 65 41 45 34 67 26 2 15 62 29 4 17 36 98 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O W W Tc W W O O O O O O O O O O O O W W O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.099</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">377</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">4.35 4.25 2.89 2.52 2.50 2.27 2.25 2.24 2.10 2.08 1.98 1.97 1.75 1.74 1.69 1.69 1.54 1.39 1.39 1.33 1.33 1.31 1.31 1.18 1.18 1.18 1.18 1.16 1.15 1.10 1.10 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:z D:yz D:yz P:z P:z P:z D:yz D:yz D:yz D:yz P:y P:y P:y P:y P:z P:y P:y P:y P:y P:y P:y P:y P:y D:xy D:xy P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">93 86 73 6 11 85 58 63 9 19 8 13 53 80 59 83 21 94 87 79 24 91 75 84 89 10 20 57 82 7 12 10 20 77 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O W W O O O W W W W O O O O O O O O O O O O O W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.901</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">378</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.79 4.15 4.02 3.96 3.94 3.26 2.75 2.68 2.39 2.28 1.79 1.70 1.62 1.58 1.57 1.52 1.46 1.42 1.40 1.39 1.38 1.38 1.32 1.24 1.20 1.20 1.17 1.16 1.08 1.07 1.06 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:xy P:x P:x P:x P:x P:y P:y P:y D:xy D:xy P:x P:x D:xz D:xz D:z2 D:z2 P:x D:yz P:x P:z D:yz P:z P:x P:x P:z P:z P:z P:z P:y P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">102 83 59 84 89 96 79 24 11 6 58 63 20 10 11 6 72 10 90 75 20 91 79 24 58 63 80 53 53 77 80 99 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">Tc O O O O O O O W W O O W W W W O W O O W 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">-11.899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">379</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.73 4.46 3.35 3.07 2.05 2.04 1.76 1.75 1.64 1.63 1.57 1.57 1.47 1.47 1.43 1.42 1.41 1.39 1.18 1.17 1.12 1.11 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x D:xz P:z P:x D:z2 D:z2 D:xy D:xy P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z D:z2 D:z2 P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 101 26 28 5 18 15 2 97 35 31 64 49 71 67 34 73 40 3 16 69 44 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O Tc O O W W W W O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.882</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">380</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.18 3.67 2.54 2.47 2.47 2.42 2.41 1.86 1.85 1.73 1.71 1.70 1.67 1.61 1.61 1.46 1.45 1.40 1.39 1.38 1.32 1.28 1.24 1.24 1.19 1.18 1.17 1.16 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 P:x P:x D:xy D:xy P:x P:x P:y P:y P:z D:xy D:xy P:x P:z P:z P:x P:x P:y P:y P:x D:z2 P:z P:y P:y P:y P:y D:xy D:xy D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">101 39 37 1 14 70 47 29 62 37 17 4 30 41 45 66 33 66 33 26 100 30 42 68 32 65 3 16 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc O O W W O O O O O W W O O O O O O O O Tc O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">381</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">4.20 3.22 3.22 2.70 2.69 2.60 2.60 2.11 2.10 2.01 2.00 1.94 1.92 1.86 1.84 1.69 1.69 1.57 1.56 1.56 1.56 1.43 1.41 1.23 1.22 1.14 1.13 1.11 1.10 1.09 1.09 1.05 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:xy P:x P:x P:x P:x P:z P:z P:z P:z D:z2 D:z2 D:yz D:yz P:y P:y D:xz D:xz P:x P:x P:y P:y P:y P:y P:y P:y D:xy D:xy D:xz D:xz P:x P:x P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">101 71 49 45 41 47 70 60 25 14 1 1 14 33 66 18 5 33 66 27 61 34 67 65 32 4 17 15 2 69 44 25 62 60 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">Tc O O O O O O O O W W W W O O W W O O O O O O O O W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.854</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">382</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">4.51 4.13 2.82 2.78 2.62 2.28 2.01 1.99 1.98 1.72 1.71 1.69 1.68 1.65 1.65 1.62 1.61 1.61 1.60 1.60 1.49 1.47 1.39 1.39 1.38 1.37 1.35 1.34 1.20 1.18 1.17 1.17 1.16 1.16 1.09 1.07 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:z2 P:x D:xy D:xy P:x P:x P:x P:x P:x D:xy P:y D:xy P:y P:z P:y P:y P:y P:y P:y P:y P:y P:y P:x P:y P:y P:x D:yz D:yz D:xy D:xy D:xy D:xy P:z P:z P:z D:x2-y2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">102 93 9 19 73 85 63 58 86 6 83 11 59 93 24 87 79 94 81 56 53 80 24 77 99 79 19 9 20 13 10 8 48 92 59 102 83 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">Tc O W W O O O O O W O W O O O O O O O O O O O O O O W W W W W W O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">383</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.12 3.12 3.01 2.83 2.83 2.07 2.06 2.06 2.05 1.82 1.81 1.68 1.67 1.65 1.65 1.57 1.57 1.37 1.36 1.25 1.25 1.23 1.22 1.20 1.18 1.17 1.17 1.16 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:z P:z P:y P:y D:yz D:yz P:z P:z P:y P:y D:xy D:xy P:z P:z D:z2 D:z2 P:y P:y D:xy P:y D:xy P:y P:z P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">99 77 96 72 90 76 74 11 6 92 48 58 63 8 13 78 88 8 13 62 29 19 85 9 89 63 84 58 74 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O W W O O O O W W O O W W O O W O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">384</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.49 3.93 3.92 2.61 2.36 2.36 1.85 1.85 1.77 1.20 1.19 1.16 1.12 1.12 1.12 1.11 1.10 1.10 1.07 1.06 1.06 1.06 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y D:xy D:xy D:xy P:x P:x P:y P:x P:x P:y D:z2 P:z P:z D:z2 P:x P:x P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 29 62 101 14 1 47 70 28 52 46 40 3 46 52 16 98 36 49 71 42 68 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O Tc W W O O O O O O W O O W 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">-11.816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">385</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.14 2.58 1.98 1.86 1.85 1.47 1.45 1.40 1.30 1.29 1.28 1.25 1.23 1.22 1.22 1.21 1.20 1.20 1.19 1.09 1.08 1.04 1.04 1.03 1.03 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z D:xz P:x D:z2 D:z2 D:xz P:z P:z P:z P:z P:x P:x D:z2 D:z2 P:z P:z P:z P:z P:z D:z2 D:z2 D:z2 D:xy D:xy D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.00 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">73 101 96 10 20 102 93 23 89 84 85 23 16 3 61 27 26 55 50 18 5 8 12 7 13 45 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O Tc O W W Tc O O O O O O W W O O O O O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">386</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">9.55 3.08 3.08 2.53 2.52 2.48 2.47 2.36 2.34 2.18 2.17 2.15 2.14 1.66 1.65 1.32 1.31 1.31 1.30 1.24 1.16 1.16 1.15 1.15 1.15 1.15 1.15 1.15 1.14 1.11 1.11 1.10 1.10 1.10 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y P:x P:x P:z P:z D:z2 D:z2 P:z P:z P:y P:y P:z P:z P:z P:x P:z P:x P:y D:z2 P:y D:z2 D:xy P:y D:yz D:yz D:xy P:y P:z D:xz D:xz P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">40 47 70 44 69 27 61 4 17 52 46 33 66 64 31 36 36 98 98 37 2 26 15 1 46 2 15 14 52 68 3 16 42 44 69 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O W W O O O O O O O O O O O W O W W O W W W O O W W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.779</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.48 4.54 4.52 2.42 2.39 2.29 1.86 1.61 1.61 1.59 1.59 1.57 1.36 1.34 1.27 1.27 1.22 1.20 1.16 1.16 1.15 1.14 1.08 1.07 1.05 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z D:z2 D:z2 P:y P:y P:x P:z P:z D:x2-y2 D:x2-y2 P:z P:z D:z2 D:z2 P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z D:x2-y2 D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">28 15 2 69 44 40 30 44 16 3 69 26 17 4 64 31 61 27 32 65 97 35 66 33 2 15 38 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O W W O O O O O W W O O W W O O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">388</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">10.68 2.60 2.58 2.14 2.09 2.08 2.07 1.81 1.78 1.66 1.66 1.60 1.58 1.57 1.57 1.30 1.27 1.23 1.22 1.22 1.21 1.19 1.19 1.15 1.14 1.14 1.14 1.08 1.08 1.08 1.07 1.06 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:y P:z P:z P:z P:x P:z P:x P:y P:y P:y P:y P:z D:z2 P:z D:z2 D:z2 D:z2 D:yz P:x D:yz D:yz D:yz P:x D:xy P:x P:x D:xy P:y P:y D:x2-y2 P:y D:x2-y2 D:xz P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">23 58 63 76 55 74 50 77 99 63 58 55 19 50 9 11 6 6 77 7 12 11 99 11 87 94 6 93 53 11 80 6 13 78 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O W O W W W W O W W W O W O 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">-11.732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">389</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.35 3.70 3.64 3.26 3.25 2.68 2.63 2.41 2.37 2.26 2.25 2.15 1.94 1.93 1.92 1.92 1.85 1.82 1.69 1.64 1.33 1.30 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z D:z2 D:z2 P:x P:x P:z P:z P:y P:y P:x P:x P:z D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x D:z2 D:z2 P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">85 7 12 78 88 74 76 55 50 81 56 86 8 13 8 13 48 92 9 19 88 78 86 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O W W O O O O O O O O O W W W W O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">390</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.36 4.32 3.60 3.60 2.45 2.44 2.42 2.34 2.11 2.11 2.09 2.07 1.84 1.83 1.77 1.76 1.49 1.48 1.36 1.36 1.25 1.23 1.15 1.14 1.14 1.12 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z D:yz D:yz P:y P:y D:xy P:y P:z P:z D:xy D:xy P:y P:y P:y P:y D:xy D:xy P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">70 47 1 14 60 25 101 38 49 71 18 5 65 32 66 33 15 2 64 31 45 41 35 97 34 67 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O W W O O Tc O O O W W O O O O W W 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">-11.678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">7.19 3.98 2.70 2.67 2.53 2.53 2.40 2.38 2.00 1.97 1.75 1.74 1.66 1.64 1.54 1.52 1.49 1.49 1.48 1.42 1.42 1.41 1.40 1.29 1.27 1.23 1.20 1.19 1.12 1.12 1.08 1.07 1.07 1.07 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:z P:z D:yz D:yz P:y P:y P:y P:y P:y P:y D:xz D:xz P:y P:y P:x P:x D:x2-y2 D:x2-y2 D:xz D:x2-y2 P:x D:x2-y2 P:x P:x P:x P:x P:x P:x P:x D:z2 D:z2 D:z2 D:xy D:z2 D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -6.750 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.80 1.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">37 26 4 17 43 54 49 71 41 45 5 18 42 68 49 71 18 5 101 4 29 17 62 41 45 30 42 68 40 101 1 14 3 100 16 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O W W O O O O O O W W O O O O W W Tc W O W O O O O O O O Tc W W W Tc W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.642</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">392</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">7.10 2.36 2.19 2.08 2.08 2.01 1.72 1.70 1.68 1.42 1.28 1.25 1.14 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:z P:z P:z P:y P:z P:y P:z P:y D:yz P:y P:z D:yz D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">39 93 85 73 89 30 55 86 84 9 50 26 19 5 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.641</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">393</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.73 2.69 2.60 2.49 2.49 2.46 2.37 2.36 2.35 2.31 2.24 2.23 2.19 2.17 2.12 2.03 1.83 1.75 1.73 1.66 1.43 1.31 1.29 1.25 1.22 1.19 1.12 1.09 1.08 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z D:xy P:y P:y P:x P:y P:z P:y P:z D:xy P:x P:y D:yz D:yz P:x D:xy P:y P:x D:z2 P:y P:x P:x D:z2 P:x D:xy P:x D:xz P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">84 89 20 96 79 55 75 63 91 58 10 50 24 6 11 57 102 87 82 12 94 83 88 7 78 7 59 20 84 56 85 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O W O O O O O O O W O O W W O Tc O O W O O O W O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.594</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">394</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.43 2.40 2.40 2.12 2.11 1.82 1.80 1.77 1.76 1.57 1.57 1.53 1.31 1.31 1.26 1.26 1.17 1.15 1.13 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:x P:x P:x P:x D:z2 D:z2 D:xz D:xz P:x P:x P:x P:z P:z D:xy D:xy P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">86 75 91 55 50 57 82 13 8 12 7 96 89 84 53 80 7 12 21 96 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W W W W O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">395</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.35 1.98 1.97 1.80 1.79 1.77 1.76 1.76 1.75 1.39 1.39 1.39 1.38 1.36 1.27 1.23 1.21 1.19 1.19 1.07 1.07 1.07 1.05 1.03 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z D:xz D:xz P:x P:x P:x P:x P:y P:y P:x P:x P:z D:yz D:yz P:z D:xz P:x P:y P:y P:y P:y D:xy D:xy P:z P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">93 20 10 59 83 89 84 89 84 98 36 73 9 19 23 102 23 51 95 48 92 10 20 75 91 2 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O W W O O O O O O O O O W W O Tc O O O O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">396</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.04 6.04 2.98 2.96 2.67 2.53 2.51 2.41 2.16 2.12 2.12 1.94 1.93 1.82 1.82 1.53 1.53 1.50 1.50 1.38 1.38 1.18 1.17 1.17 1.17 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x D:z2 D:z2 P:y P:z P:z D:xy P:y P:z P:z D:xz D:xz P:x P:x P:x P:x P:z P:z P:z P:z P:y D:x2-y2 D:x2-y2 P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">31 64 3 16 26 27 61 101 37 35 97 15 2 97 35 98 36 69 44 25 60 47 3 16 70 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W W O O O Tc O O O W W O O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">397</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.12 7.11 2.90 2.89 2.88 2.88 2.87 2.48 2.47 2.22 1.95 1.56 1.56 1.49 1.49 1.42 1.41 1.35 1.35 1.34 1.33 1.27 1.27 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x D:z2 D:z2 P:x P:x P:y P:z P:z P:y D:xy P:z P:z P:y P:y D:xz D:xz P:z P:z P:y P:y D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">78 88 8 13 81 56 73 74 76 93 102 75 91 63 58 12 7 81 56 53 80 8 13 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O W W O O O O O O Tc O O O O W W O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">398</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.26 3.01 2.99 2.96 2.94 2.72 2.59 2.14 1.99 1.99 1.90 1.90 1.89 1.88 1.85 1.82 1.81 1.63 1.63 1.53 1.52 1.49 1.49 1.44 1.43 1.43 1.28 1.27 1.17 1.17 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:y P:y P:z P:z D:z2 P:x P:x P:y P:y D:xy P:z D:xy P:z P:x P:y P:y P:z P:z P:x P:x P:z P:z P:x D:xy D:xy P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">37 33 66 62 29 101 30 39 41 45 4 66 17 33 26 29 62 67 34 54 43 32 65 28 3 16 42 68 65 32 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O Tc O O O O W O W O O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">399</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.37 6.35 5.60 2.92 2.60 2.59 2.56 2.55 2.27 2.27 1.98 1.98 1.98 1.97 1.68 1.68 1.61 1.60 1.52 1.41 1.41 1.30 1.30 1.26 1.25 1.22 1.22 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x D:z2 P:y P:y D:z2 D:xy D:xy D:xz D:xz P:y D:yz D:yz P:y P:y P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">42 68 28 30 43 54 70 47 52 46 4 32 65 17 1 14 14 1 26 17 4 67 34 62 29 29 62 27 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O W O O W W W W W O W W 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">-11.419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">400</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.74 3.71 3.22 3.22 3.02 2.95 2.92 2.90 2.41 2.40 1.91 1.90 1.72 1.71 1.67 1.65 1.58 1.58 1.49 1.48 1.37 1.35 1.33 1.33 1.24 1.18 1.17 1.16 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:y P:y P:x P:z P:z P:x P:x P:x P:z P:z P:y P:y D:xy D:xy P:y P:y D:xy D:xy P:y P:x P:x P:y P:x P:x P:x D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">99 77 79 24 93 24 79 73 85 86 53 80 83 59 19 9 99 77 13 8 82 87 94 57 51 95 39 102 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O W W O O W W O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">401</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.38 6.32 3.83 2.84 2.82 2.50 2.46 2.17 1.94 1.84 1.83 1.76 1.71 1.69 1.69 1.68 1.68 1.53 1.51 1.45 1.41 1.36 1.34 1.30 1.27 1.25 1.22 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:x P:x P:x P:x P:y P:y D:xy D:xy P:x P:x D:yz D:yz D:z2 D:z2 D:xz D:xz P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">92 48 85 63 58 72 90 86 73 6 11 95 51 19 9 19 9 11 6 94 87 77 99 53 80 48 92 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O W W O O W W W W W W 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">-11.339</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">402</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">25.48 2.85 1.53 1.24 1.23 1.03 1.03 1.02 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">P:x D:x2-y2 D:x2-y2 P:x P:x P:z P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">39 101 103 45 41 33 66 53 80 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O Tc Tc 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">-11.289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">403</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.59 4.58 4.36 4.36 4.15 4.14 3.31 3.31 3.31 3.30 2.73 2.73 2.37 2.36 2.16 2.15 1.87 1.37 1.36 1.24 1.22 1.15 1.15 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:y P:y P:y P:z P:z P:y P:z P:z D:z2 D:z2 D:z2 D:z2 P:x P:z P:z P:y P:y P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">29 62 66 33 62 29 66 65 32 33 34 67 1 14 101 100 28 36 98 98 36 52 46 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O W W Tc Tc O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.248</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">404</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.70 6.68 5.53 5.49 4.05 3.99 3.49 3.45 3.21 3.21 2.34 2.30 2.20 2.19 1.89 1.86 1.29 1.27 1.21 1.18 1.11 1.09 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">99 77 77 99 94 87 24 79 79 24 87 94 80 53 99 77 90 72 87 94 6 11 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.241</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">405</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">13.39 8.10 4.51 4.38 3.59 3.54 3.14 2.41 2.40 2.34 2.26 1.69 1.64 1.59 1.52 1.43 1.42 1.39 1.37 1.23 1.22 1.16 1.11 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:z P:z P:x P:x P:y P:y P:y P:z P:z P:x P:x P:x P:x P:z D:yz P:z D:yz D:xy D:xy P:z P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">73 93 79 24 53 80 85 74 76 77 99 88 78 94 87 84 8 89 13 20 10 72 90 79 90 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O W O W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">406</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.90 5.96 5.89 3.62 3.60 3.31 3.29 2.91 2.89 2.53 2.52 2.24 2.22 1.85 1.84 1.82 1.67 1.67 1.25 1.24 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:y P:z P:z D:xy D:xy D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">28 26 30 62 29 66 33 32 65 27 61 67 34 37 69 44 2 15 4 17 46</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 W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.03 3.04 2.89 2.77 2.63 2.56 2.13 2.10 2.07 2.04 2.00 1.89 1.80 1.79 1.78 1.76 1.68 1.63 1.51 1.45 1.36 1.29 1.29 1.27 1.25 1.21 1.20 1.14 1.11 1.10 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:y P:y P:x P:x D:z2 D:z2 D:z2 P:x P:y P:x P:x P:y P:z D:z2 P:y P:z P:y P:y P:y P:x P:z P:y P:y D:x2-y2 P:x P:y P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">40 40 44 69 44 36 2 3 16 69 32 98 31 65 62 15 47 29 70 49 71 22 38 31 64 100 64 33 52 26 26 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O W W W O O O O O O W O O O O O O O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">408</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.98 5.47 3.72 3.21 2.92 2.82 2.81 2.69 2.36 2.27 2.24 2.15 1.81 1.79 1.77 1.63 1.57 1.37 1.36 1.27 1.24 1.21 1.19 1.14 1.09 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:x P:x P:z P:x P:z P:z P:z P:x P:x D:xy P:x P:y P:x P:x P:x D:xy P:x D:xy P:z P:x P:x D:yz D:yz P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">26 37 46 52 49 64 71 31 64 98 31 101 70 30 69 36 47 14 41 1 34 45 44 16 3 67 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O Tc O O O O O W O W O O O W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.204</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">409</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">15.37 14.13 4.69 2.92 2.92 2.88 2.68 2.66 1.95 1.94 1.87 1.83 1.68 1.67 1.46 1.46 1.45 1.30 1.27 1.15 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:y P:z P:z P:y P:x P:x P:x P:x P:x P:x P:x P:x D:xz D:xz P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">85 86 93 99 77 73 87 94 90 72 92 48 99 77 6 11 23 84 89 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">410</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.69 6.63 6.56 5.40 4.27 2.78 2.74 2.44 1.87 1.85 1.79 1.77 1.53 1.52 1.49 1.47 1.47 1.46 1.42 1.21 1.21 1.21 1.17 1.16 1.16 1.15 1.13 1.12 1.10 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z D:xz D:xz P:z D:xy D:xz D:xz P:x P:x P:x P:x P:x P:x P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">37 28 26 30 38 71 49 40 44 69 68 42 66 62 29 1 14 33 101 2 15 54 43 65 60 32 25 34 67 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O W W O Tc W W 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">-11.195</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">411</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.20 3.20 3.19 3.06 3.03 2.87 2.32 2.31 2.02 2.02 1.65 1.64 1.59 1.30 1.27 1.27 1.25 1.25 1.17 1.12 1.10 1.06 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:x P:x P:x D:z2 D:z2 P:y P:y P:y P:y P:z D:z2 P:x D:z2 P:y P:y P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">84 89 96 89 84 96 10 20 55 50 63 58 23 12 39 7 80 53 23 78 88 50 55 59 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W W O O O O O W O W 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">-11.175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">412</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.75 2.75 2.59 2.56 2.48 2.47 2.43 2.38 2.37 2.37 2.31 2.29 1.93 1.93 1.44 1.43 1.39 1.39 1.33 1.32 1.26 1.24 1.23 1.22 1.15 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x D:z2 P:z P:z P:z P:z P:x D:xz P:x P:x P:z P:z D:z2 D:z2 D:xz D:xz P:x P:x P:x P:x D:x2-y2 P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">28 101 66 33 41 45 26 101 34 67 97 35 17 4 2 15 62 29 54 43 100 68 42 39 37 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O Tc O O O O O Tc O O O O W W W W O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">413</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.17 3.84 3.82 3.01 3.01 2.82 2.81 2.27 2.17 2.17 1.68 1.66 1.58 1.48 1.47 1.45 1.41 1.39 1.33 1.32 1.23 1.22 1.19 1.18 1.18 1.18 1.17 1.09 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy P:x P:x P:x P:x P:z P:z P:y P:z P:z D:xz D:xz P:y P:y P:x P:x P:z P:z P:z P:z D:z2 D:z2 P:y P:y P:z P:y P:z P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 59 83 50 55 55 50 23 82 57 7 12 73 21 56 81 51 95 84 89 12 7 84 89 75 96 91 48 92 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc O O O O O O O O O W W O O O O O O O O W W O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">1.94 1.81 1.80 1.40 1.33 1.32 1.31 1.30 1.28 1.28 1.24 1.23 1.16 1.13 1.13 1.11 1.11 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y P:y P:x P:y P:y P:z P:z D:xz D:xz P:y P:y P:x P:z P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">37 67 34 86 54 43 33 66 5 18 87 94 26 38 30 69 44 85 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W 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">-11.119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.87 1.52 1.36 1.35 1.33 1.33 1.33 1.32 1.32 1.31 1.30 1.25 1.18 1.18 1.17 1.17 1.17 1.16 1.14 1.11 1.11 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x D:xz D:xz P:z P:y P:y P:x P:z P:y P:y P:z P:y P:z D:xz D:xz P:z P:y P:y P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">39 86 12 7 92 87 94 85 48 67 34 23 54 33 5 18 66 43 56 81 89 84 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W W O O O O O O O O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">2.49 2.48 2.29 2.26 2.15 2.15 2.06 2.05 1.95 1.95 1.82 1.81 1.80 1.79 1.78 1.76 1.75 1.74 1.72 1.58 1.58 1.41 1.35 1.21 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:y P:x P:z P:x P:x P:x P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 60 32 65 60 25 61 27 70 47 67 34 36 28 33 98 66 62 29 45 41 41 45 26 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-11.095</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.18 3.16 3.06 3.05 2.49 2.36 2.09 2.08 2.03 2.03 2.01 1.91 1.91 1.89 1.89 1.85 1.49 1.49 1.43 1.38 1.38 1.38 1.37 1.37 1.36 1.14 1.05 1.04 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:x P:x D:xz D:z2 P:z P:z D:z2 D:z2 P:z P:x P:x P:x P:x P:x P:x P:x D:x2-y2 P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:z2 P:z D:z2 D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">62 29 42 68 101 100 54 43 4 17 30 34 67 65 32 38 43 54 101 29 62 32 65 17 4 101 66 1 14 33 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O Tc Tc O O W W O O O O O O O O Tc O O O O W W Tc O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.24 3.22 2.78 2.76 2.09 2.09 1.80 1.76 1.75 1.63 1.60 1.60 1.60 1.57 1.57 1.57 1.57 1.53 1.52 1.49 1.48 1.45 1.44 1.32 1.16 1.15 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:z P:z P:y P:y P:y P:z P:z P:x P:x P:x P:x P:x D:xy P:x D:xy P:z P:z P:z P:z P:z P:z P:y P:z P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">75 91 80 53 76 74 73 58 63 24 82 57 79 99 12 77 7 94 87 78 88 91 75 93 59 83 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O W O W 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">-11.023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.85 2.69 2.69 2.68 2.67 2.42 2.41 2.26 2.25 2.23 2.22 2.14 2.13 2.11 2.10 1.92 1.92 1.60 1.60 1.51 1.48 1.47 1.34 1.33 1.26 1.23 1.15 1.14 1.14 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x D:z2 D:z2 P:x P:x P:x P:x D:z2 D:z2 P:x P:x P:z P:z P:x P:x P:z P:z P:x P:x P:x P:z P:z P:z P:z P:z D:xz D:z2 P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">85 8 13 81 56 88 78 9 19 51 95 78 88 48 92 79 24 50 55 73 56 81 57 82 86 102 102 72 90 80 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W W O O O O W W O O O O O O O O O O O O O O O O Tc Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.999</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.66 3.65 3.32 3.32 2.66 2.65 2.50 2.49 2.22 2.20 2.20 2.19 2.16 2.15 2.14 2.12 2.11 1.85 1.74 1.73 1.63 1.61 1.38 1.38 1.30 1.29 1.28 1.26 1.21 1.17 1.17 1.03 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:y P:y P:x P:x P:z P:z P:x P:z P:x P:z P:y P:x P:x P:y D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:x P:x D:xz D:xz P:y P:y P:z P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">51 95 82 57 80 53 24 79 83 99 59 77 58 92 48 63 103 102 6 11 19 9 94 87 10 20 51 95 93 83 59 89 56 84 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O Tc Tc W W W W O O W W 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">-10.970</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">421</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">2.91 2.50 2.31 2.10 2.03 2.01 1.92 1.87 1.70 1.64 1.42 1.37 1.35 1.31 1.20 1.19 1.13 1.12 1.11 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:z P:x P:z P:z P:x P:z P:x P:y P:y P:z P:z P:z P:y P:y P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">97 35 41 36 45 41 98 36 45 98 54 43 54 57 82 35 41 47 97 70 43</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.969</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">3.26 2.93 2.76 2.73 2.67 2.44 2.36 2.35 1.49 1.48 1.26 1.21 1.19 1.16 1.09 1.08 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:z P:x P:z P:y P:y P:x P:z P:y P:x P:y P:x P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">43 54 35 45 70 47 97 41 37 45 45 41 98 43 41 63 39 58</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">423</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">2.21 2.18 2.13 2.13 2.11 2.07 2.01 1.92 1.89 1.88 1.65 1.65 1.53 1.50 1.34 1.32 1.31 1.23 1.23 1.19 1.13 1.11 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:z P:x P:x P:y P:y P:x P:y P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">82 51 95 57 51 95 83 59 82 57 63 58 88 78 96 83 59 92 48 93 81 86 56 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-10.942</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">424</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.15 5.08 4.97 4.96 3.61 3.02 2.94 2.75 2.27 2.19 2.08 1.97 1.93 1.92 1.90 1.81 1.78 1.65 1.56 1.46 1.35 1.25 1.22 1.18 1.17 1.16 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:x D:yz P:z D:yz P:z P:z P:z P:y P:z P:y P:y P:z P:y P:y P:y P:x P:x P:y P:x P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">27 61 60 25 100 98 101 36 35 97 54 68 43 98 42 36 35 97 68 42 30 64 43 31 64 54 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O Tc O Tc 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">-10.937</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.34 3.31 3.02 3.00 2.66 2.62 1.80 1.80 1.80 1.79 1.77 1.77 1.68 1.66 1.66 1.65 1.37 1.37 1.34 1.33 1.21 1.19 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:x P:x P:z P:z P:x P:x P:x P:x P:z P:z P:y P:x P:x P:y P:z P:z P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">63 58 82 57 83 59 56 51 81 95 51 95 70 84 89 47 81 56 84 89 45 41 59 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-10.902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">426</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.71 4.70 4.28 4.26 3.71 3.68 3.18 2.68 2.34 2.30 2.08 2.06 2.06 2.02 1.84 1.82 1.82 1.77 1.55 1.50 1.43 1.43 1.28 1.27 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:x P:x P:x D:yz D:yz P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">91 75 76 74 92 48 103 102 82 57 57 82 95 51 56 48 81 92 78 88 81 56 55 50 86 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O Tc Tc 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">-10.894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">427</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.10 11.98 2.14 2.10 2.09 2.08 2.05 2.04 1.88 1.85 1.77 1.77 1.24 1.24 1.16 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">58 63 92 84 89 48 47 70 88 78 11 6 55 50 93 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.879</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">428</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">13.95 13.92 2.30 2.30 1.67 1.66 1.63 1.61 1.56 1.55 1.20 1.19 1.15 1.15 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:y P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:z P:z P:x P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">47 70 64 31 1 14 42 68 69 44 45 41 71 49 63 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O W W 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">-10.822</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">429</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.15 3.14 2.30 2.28 2.05 1.97 1.88 1.87 1.75 1.73 1.63 1.61 1.55 1.54 1.41 1.37 1.36 1.35 1.34 1.31 1.30 1.30 1.29 1.29 1.28 1.25 1.25 1.22 1.20 1.18 1.17 1.17 1.12 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x D:x2-y2 D:x2-y2 P:y D:x2-y2 P:y D:x2-y2 D:yz P:y P:y D:x2-y2 P:y P:y D:x2-y2 P:x P:x P:x P:x D:yz D:x2-y2 D:x2-y2 P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">61 27 49 71 31 64 25 60 97 35 42 68 17 4 69 5 44 18 101 68 32 3 65 42 16 44 69 64 31 100 15 2 43 54 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O W W O W O W Tc O O W O O W O O O O Tc W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.24 3.19 2.95 2.94 2.90 2.71 1.75 1.75 1.69 1.66 1.56 1.54 1.42 1.41 1.41 1.40 1.40 1.39 1.39 1.33 1.30 1.29 1.28 1.06 1.04 1.04 1.03 1.03 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:y D:x2-y2 P:y D:x2-y2 P:x P:x D:yz P:y P:x P:z P:z P:x D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">84 89 76 74 92 48 95 51 80 53 10 20 75 48 91 92 24 19 79 9 89 84 102 78 88 83 59 78 13 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W W O O O O O W O W O O Tc O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">431</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">4.11 4.08 3.93 3.89 2.43 2.40 2.38 2.34 2.11 2.09 1.91 1.91 1.78 1.16 1.15 1.12 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y P:y P:y P:y D:xy D:xy P:x P:x P:x P:z P:z P:z D:xz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">63 58 88 78 50 55 68 42 6 11 70 47 86 85 88 78 8 13 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.807</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">432</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.99 5.99 3.11 3.11 2.90 2.89 2.82 2.81 2.81 2.81 2.05 2.04 1.77 1.77 1.47 1.46 1.46 1.42 1.26 1.26 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x D:xy D:xy P:y P:y P:x P:y P:x P:y P:y P:y P:y P:y D:xy D:xy P:y P:y P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">47 70 1 14 68 42 63 49 58 71 44 69 31 64 6 11 48 92 50 55 26 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W W O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">433</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.15 6.14 4.89 4.87 3.00 3.00 2.55 2.49 1.89 1.62 1.59 1.55 1.21 1.19 1.17 1.16 1.16 1.15 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:y P:y D:yz D:yz P:y P:y P:z P:z P:x P:x P:y D:z2 P:y D:z2 P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">70 47 64 31 1 14 44 69 30 28 31 64 42 3 68 16 70 47 48 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W W O O O O O O O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">434</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.25 7.24 4.05 4.05 3.20 3.19 1.80 1.78 1.66 1.59 1.47 1.20 1.20 1.16 1.15 1.15 1.04 1.03 1.03 1.02 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:y D:yz D:yz P:y P:y P:y P:y P:z P:z P:z P:x P:z P:z P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">63 58 48 92 6 11 84 89 78 88 73 72 90 93 93 96 95 56 51 81 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W W 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">-10.784</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">435</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">4.55 4.52 4.28 4.25 2.34 2.34 1.46 1.44 1.43 1.42 1.41 1.38 1.36 1.35 1.31 1.29 1.12 1.09 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:z P:z P:y P:y P:z P:z P:y P:y P:y P:z P:y P:z P:y P:y D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">70 47 44 69 63 58 64 31 62 29 64 89 31 84 68 42 2 15 65 32</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 W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.781</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">4.17 4.13 3.08 3.06 2.95 2.93 1.74 1.74 1.63 1.62 1.22 1.20 1.06 1.05 1.03 1.02 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">63 58 69 44 89 84 47 70 88 78 99 77 85 48 92 20 10 79 24</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 W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.33 4.31 2.69 2.68 2.19 2.19 1.86 1.82 1.57 1.55 1.51 1.50 1.43 1.42 1.42 1.40 1.26 1.18 1.14 1.14 1.13 1.10 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:x P:y P:y P:x P:z P:x P:z P:x P:z P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 91 74 76 57 82 25 60 50 55 98 36 61 59 83 27 86 55 95 50 51 35 97 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.99 4.92 4.18 4.17 3.31 3.31 2.49 2.45 1.97 1.92 1.92 1.91 1.57 1.55 1.55 1.54 1.52 1.47 1.25 1.22 1.17 1.15 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z D:z2 D:z2 P:z P:x P:z P:x D:z2 D:z2 D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">78 88 50 55 92 48 84 89 74 76 49 71 13 8 68 75 42 91 19 9 7 12 51 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O W W O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">439</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.25 5.22 4.97 4.97 2.75 2.73 1.88 1.86 1.75 1.75 1.73 1.72 1.58 1.57 1.56 1.55 1.54 1.54 1.19 1.18 1.14 1.13 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:z2 D:z2 D:z2 D:z2 P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">49 71 68 42 31 64 88 78 44 69 17 4 5 18 66 33 55 50 42 68 67 34 48 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O W W W W 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">-10.723</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">440</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.03 5.00 4.21 3.41 3.38 2.45 2.43 2.27 2.26 2.07 2.06 1.61 1.59 1.38 1.32 1.28 1.20 1.18 1.17 1.16 1.14 1.14 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:x P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">60 25 39 27 61 36 98 35 97 75 91 45 41 30 68 42 57 82 74 76 54 43 64 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-10.661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.84 3.82 3.16 3.13 2.77 2.71 2.71 2.64 2.58 2.08 2.05 1.99 1.97 1.84 1.80 1.77 1.60 1.56 1.29 1.27 1.20 1.19 1.17 1.17 1.15 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z P:x P:z P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">27 61 49 71 69 44 68 42 38 49 71 69 44 31 40 64 49 71 68 42 31 64 45 41 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-10.655</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">442</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.23 4.20 3.28 3.22 3.05 3.00 2.44 2.42 1.87 1.82 1.80 1.76 1.63 1.62 1.58 1.47 1.39 1.28 1.26 1.25 1.24 1.18 1.13 1.09 1.06 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y P:x P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">74 76 84 89 55 50 55 50 78 88 84 89 23 55 50 48 92 89 84 82 57 78 88 78 96 88 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O 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">-10.635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.72 7.68 5.45 5.35 3.03 2.93 2.36 2.31 2.26 2.20 1.88 1.86 1.79 1.78 1.77 1.75 1.73 1.71 1.44 1.42 1.26 1.22 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">92 48 88 78 50 55 89 84 89 84 50 55 92 48 88 89 78 84 88 78 92 48 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-10.628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.89 7.81 5.71 5.60 2.56 2.52 2.50 2.48 2.12 2.11 2.11 2.06 1.87 1.87 1.86 1.84 1.59 1.55 1.39 1.34 1.19 1.18 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:x P:x P:y P:x P:x P:y P:y P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">64 31 42 68 71 44 49 69 42 68 44 69 71 31 64 49 44 69 64 31 42 68 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O 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">-10.521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">445</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.95 6.91 5.97 4.21 2.40 2.04 1.77 1.55 1.54 1.53 1.47 1.46 1.46 1.45 1.38 1.37 1.26 1.18 1.14 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x D:xz P:z P:x P:z P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 31 101 39 40 96 38 48 92 96 71 49 42 68 48 92 23 38 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O Tc 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">-10.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">446</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.68 3.58 2.91 2.83 2.80 2.63 2.46 2.32 2.31 2.31 2.30 2.25 2.24 2.21 2.21 2.13 2.05 2.04 1.67 1.53 1.52 1.51 1.39 1.10 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">63 58 70 47 40 96 40 84 44 69 89 31 64 42 68 38 48 92 22 96 64 31 22 50 55 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-10.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">447</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.16 4.13 3.86 3.86 3.09 2.84 2.82 2.27 2.26 2.00 1.97 1.95 1.69 1.67 1.66 1.60 1.30 1.29 1.26 1.18 1.16 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:z P:z D:xz P:x P:x P:z P:z P:y P:y P:x P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">47 70 69 44 101 49 71 71 49 63 58 22 40 84 89 96 48 92 39 96 55 50 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O Tc O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.59 6.53 4.01 3.99 2.54 2.53 2.13 2.12 1.62 1.61 1.53 1.48 1.48 1.42 1.42 1.23 1.06 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy P:y P:x P:x P:x P:x P:z P:z P:y P:y D:xy P:y P:y P:z P:z D:xy P:z P:z D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">101 39 71 49 31 64 68 42 71 49 100 69 44 25 60 102 69 44 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc O O O O O O O O O Tc O O O O Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">449</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">5.10 5.06 4.72 4.61 3.44 3.42 3.01 2.60 1.58 1.54 1.51 1.48 1.48 1.43 1.42 1.41</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:x P:x P:x P:y P:y D:xy P:y P:x P:x P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">88 78 89 84 89 84 102 96 90 72 55 48 50 92 94 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O Tc 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">-10.408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.08 3.02 3.01 2.64 2.59 2.37 2.36 2.24 2.24 2.23 2.21 2.02 2.00 1.87 1.87 1.81 1.70 1.69 1.66 1.64 1.54 1.53 1.24 1.24 1.22 1.22 1.22 1.21 1.14 1.14 1.13 1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:y P:x P:x P:x P:x P:y P:z P:y P:z P:x P:x P:y P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">28 32 65 49 71 29 62 64 31 64 31 42 68 34 67 40 69 44 66 33 46 52 45 71 41 49 34 67 98 36 38 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O 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">-10.406</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">451</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.01 4.92 3.96 3.88 3.41 3.35 2.32 2.27 2.03 2.03 1.88 1.67 1.58 1.57 1.50 1.33 1.32 1.25 1.16 1.10 1.06 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:z P:z P:y P:y P:z P:z P:z P:z D:xz P:x P:x P:x P:x P:y P:y P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">23 23 55 50 63 58 78 88 68 42 101 84 89 92 48 47 70 71 49 50 72 90 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O Tc 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">-10.402</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.50 7.47 5.52 5.41 5.40 4.48 4.45 2.70 2.69 2.57 2.54 2.12 2.11 1.71 1.70 1.65 1.64 1.57 1.57 1.44 1.36 1.35 1.21 1.17 1.12 1.12 1.10 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y D:yz D:yz P:z P:z D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:y D:xy D:xy P:x P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">48 92 73 89 84 63 58 58 63 84 89 6 11 79 24 10 20 10 20 93 24 79 58 63 6 11 84 89 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O W W O O W W W W O O O O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.76 4.74 4.48 4.47 4.19 4.18 3.58 3.57 2.94 2.92 2.56 1.82 1.81 1.65 1.65 1.37 1.37 1.36 1.36 1.27 1.26 1.26 1.26 1.25 1.18 1.17 1.16 1.15 1.13 1.12 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:y P:y P:x P:x P:z P:z P:y P:y P:y D:z2 D:z2 D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy P:x P:x D:yz P:y D:yz P:y P:y P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">44 69 31 64 70 47 47 70 69 44 28 2 15 1 14 2 15 14 1 44 69 3 30 16 71 49 29 62 71 49 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O W W W W W W W W O O W O W 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">-10.372</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.33 2.98 2.97 2.70 2.69 2.03 1.82 1.78 1.78 1.75 1.62 1.58 1.54 1.46 1.34 1.20 1.17 1.15 1.15 1.13 1.06 1.05 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:z P:z P:x P:z P:z P:x P:x P:z P:y P:y D:x2-y2 P:x P:x P:x P:x P:z P:z P:z P:x P:x D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 42 68 38 39 55 50 71 49 23 47 70 100 23 22 37 30 52 46 37 42 68 101 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O Tc O O O O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">455</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.66 7.64 6.68 6.59 6.52 6.48 4.66 2.33 2.32 2.32 2.31 2.26 2.26 1.79 1.76 1.74 1.73 1.38 1.34 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:x P:x P:z P:y D:xy P:y P:y D:xy P:z P:z D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">78 88 50 63 58 55 85 6 50 55 11 63 58 12 7 7 12 55 50 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O O W O O W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.362</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">456</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.09 8.08 5.37 4.78 4.74 4.60 4.58 4.19 4.17 2.58 2.57 1.96 1.95 1.78 1.77 1.77 1.76 1.68 1.68 1.30 1.29 1.10 1.10 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z D:xy D:xy D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z D:xy D:xy D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">42 68 26 49 71 70 47 71 49 47 70 14 1 5 18 5 18 66 33 4 17 1 14 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O W W W W W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.79 3.59 3.57 3.25 2.92 2.66 2.64 2.44 2.42 2.13 2.12 2.04 2.03 1.62 1.62 1.58 1.57 1.36 1.34 1.30 1.28 1.20 1.19 1.16 1.16 1.15 1.13 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:y P:y P:z P:z D:z2 D:z2 P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">102 55 50 73 21 89 84 92 48 80 53 95 51 77 99 89 84 94 87 59 83 79 24 10 20 57 82 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc O O O O O O O O O O O O O O O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.298</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.96 4.94 4.46 4.22 4.17 3.26 3.24 3.06 3.06 2.45 2.42 2.08 2.07 2.05 1.86 1.86 1.86 1.85 1.36 1.36 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z D:xz P:x P:x P:z P:z P:z P:z P:z P:z P:x P:z P:z P:x P:x P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">48 92 102 88 78 88 78 90 72 50 55 23 84 89 50 55 58 63 56 81 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc 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">-10.275</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.17 6.17 4.88 3.39 2.74 2.73 2.72 2.60 2.60 2.06 2.05 1.94 1.48 1.47 1.45 1.45 1.43 1.42 1.28 1.28 1.18 1.10 1.10 1.09 1.09 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y D:xy D:z2 D:z2 P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">44 69 40 28 46 52 38 49 71 68 42 26 32 65 42 68 68 42 64 31 104 15 2 67 34 44 69 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O P W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.267</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.81 6.79 4.62 3.53 2.92 2.92 2.58 2.57 2.55 1.86 1.85 1.84 1.81 1.80 1.57 1.55 1.35 1.29 1.20 1.11 1.10 1.08 1.08 1.06 1.06 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:z P:y P:y P:z P:z P:z P:z P:z D:xy P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">50 55 23 85 90 72 92 48 96 89 48 84 73 92 94 87 50 55 105 78 88 77 99 80 53 24 79 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O P 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">-10.230</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.40 3.86 3.15 2.86 2.74 2.74 2.62 2.55 2.39 2.39 2.27 2.23 2.22 1.97 1.96 1.86 1.85 1.83 1.82 1.64 1.64 1.53 1.40 1.39 1.39 1.31 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 P:x P:x P:x P:y P:y P:x P:x P:z P:z D:z2 P:y P:y P:z P:z P:z P:z P:x P:x D:z2 D:z2 D:x2-y2 P:y P:y P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">101 26 28 30 60 25 37 38 52 46 100 70 47 42 68 66 33 42 68 14 1 101 27 61 37 39 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc O O O O O O O O O Tc O O O O O O O O W W Tc O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.181</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.56 9.53 6.12 5.39 3.27 2.57 2.55 2.40 2.39 1.29 1.28 1.28 1.28 1.27 1.23 1.21 1.21 1.20 1.12 1.12 1.12 1.11 1.10 1.07 1.07 1.01 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 P:x P:x D:x2-y2 P:z P:y P:y P:y P:y P:z P:z D:z2 D:z2 P:z P:z P:z P:z P:z P:z P:x P:x P:z P:x P:z P:z D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">102 73 86 102 86 75 91 74 76 73 91 6 11 75 79 57 24 82 99 87 94 77 93 59 83 13 8 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc O O Tc O O O O O O O W W O O O O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.00 4.74 4.71 4.64 4.60 4.58 4.33 3.97 3.97 3.65 3.64 2.24 2.24 1.97 1.95 1.93 1.70 1.61 1.58 1.57 1.53 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y D:xy P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:z P:z P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">38 47 70 101 46 52 39 69 44 49 71 64 31 28 36 98 40 31 64 71 49 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O Tc O O O O O O O O O O O O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.73 6.72 6.40 5.14 3.94 3.73 3.72 3.65 3.64 3.29 2.78 2.77 2.04 2.04 1.94 1.94 1.65 1.64 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:z D:xz P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">31 64 39 101 40 49 71 46 52 38 44 69 71 49 44 69 47 70 104 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O Tc O O O O O O O O O O O O O O P Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="28">4.88 4.84 4.84 4.84 4.79 4.79 3.79 3.78 2.74 2.68 2.35 2.34 2.24 2.05 2.05 2.03 2.03 1.82 1.62 1.57 1.50 1.48 1.23 1.12 1.10 1.10 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x D:xy P:z P:x P:z P:x P:y P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">63 78 58 88 90 72 48 92 96 93 79 24 102 58 99 63 77 86 23 21 92 48 73 85 76 74 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O Tc 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">-10.092</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="34">4.57 4.21 4.06 3.72 3.71 3.41 3.38 3.38 3.38 3.38 3.37 3.35 3.26 3.25 2.09 2.09 1.57 1.57 1.43 1.40 1.32 1.31 1.25 1.25 1.25 1.25 1.24 1.24 1.17 1.17 1.16 1.16 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:x P:x P:z P:x P:z P:y P:y P:x P:y P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:x P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">30 28 26 29 62 70 66 47 37 31 33 64 42 68 32 65 27 61 64 31 34 67 62 29 32 29 62 65 67 46 52 34 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-10.074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="36">6.93 6.23 4.59 3.12 3.11 3.07 3.07 2.95 2.65 2.61 2.27 2.25 2.08 2.07 1.99 1.99 1.98 1.97 1.84 1.83 1.44 1.30 1.30 1.30 1.29 1.27 1.26 1.25 1.24 1.22 1.21 1.18 1.17 1.16 1.16 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">D:xy P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">102 85 21 89 84 50 55 73 96 86 87 94 58 63 88 78 72 90 77 99 93 87 99 77 94 63 58 53 80 87 94 24 79 84 89 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">Tc O O O O O O O O O O O O O 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">-10.043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="31">6.30 5.23 3.84 3.83 3.82 3.79 2.65 2.47 2.47 2.33 2.33 2.26 2.25 2.15 2.13 1.82 1.81 1.57 1.53 1.53 1.48 1.47 1.45 1.44 1.43 1.42 1.27 1.26 1.26 1.26 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:x P:x P:z P:z P:y P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:y P:y P:y P:x P:x P:z P:z P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">26 37 34 67 66 33 30 71 49 29 62 45 41 41 45 70 47 39 67 34 33 66 33 66 36 98 28 98 36 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-10.021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="30">4.33 3.73 3.34 3.19 3.18 3.09 2.95 2.95 2.94 2.93 2.81 2.79 2.73 2.72 2.13 2.12 1.80 1.77 1.61 1.60 1.33 1.33 1.31 1.30 1.22 1.20 1.16 1.16 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:x P:x P:y P:x P:y P:x P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">93 86 73 94 87 85 53 83 80 59 77 99 79 24 57 82 59 83 58 63 24 79 89 84 82 57 99 77 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-9.975</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="26">21.83 4.85 4.50 4.40 4.39 3.41 3.32 2.39 1.86 1.75 1.74 1.57 1.54 1.53 1.49 1.48 1.48 1.32 1.31 1.26 1.26 1.16 1.14 1.12 1.12 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x D:x2-y2 P:z P:x P:x P:z P:x D:xz D:z2 P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:y P:y P:x D:x2-y2 P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 100 22 44 69 38 26 100 101 36 98 28 49 71 40 68 42 44 69 41 45 30 101 52 46 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O Tc O O O O O Tc Tc O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="22">15.37 11.29 5.78 5.76 3.55 3.19 3.18 2.66 2.66 2.57 2.56 1.61 1.51 1.51 1.45 1.45 1.38 1.38 1.15 1.14 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x D:xz P:x P:x P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">21 102 88 78 96 72 90 84 89 56 81 96 72 90 48 92 88 78 63 58 48 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O Tc 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">-9.890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="31">4.84 4.82 2.84 2.58 2.57 2.57 2.51 2.50 2.41 2.40 1.91 1.87 1.85 1.85 1.84 1.61 1.60 1.59 1.59 1.48 1.47 1.28 1.28 1.27 1.22 1.22 1.15 1.15 1.14 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:z P:y D:xz P:y P:y P:y P:z P:z P:x P:y P:z P:z P:y P:x P:z P:x P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">76 74 23 81 102 56 59 83 50 55 85 57 95 51 82 91 56 75 81 83 59 63 86 58 72 90 57 82 95 51 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O Tc O O O O 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">-9.878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="30">2.66 2.48 2.46 2.10 2.08 2.02 2.01 1.92 1.92 1.83 1.81 1.81 1.72 1.70 1.47 1.46 1.41 1.41 1.38 1.36 1.36 1.30 1.30 1.28 1.28 1.27 1.18 1.17 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:z P:x P:x P:y P:y P:x P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">26 41 45 66 33 65 32 36 98 54 43 30 28 28 62 29 29 62 37 34 67 25 60 37 97 35 27 61 44 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-9.866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="33">1.75 1.75 1.67 1.66 1.61 1.60 1.51 1.46 1.43 1.40 1.38 1.31 1.31 1.28 1.26 1.25 1.21 1.17 1.17 1.14 1.13 1.12 1.11 1.10 1.10 1.10 1.10 1.09 1.08 1.06 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:z P:z P:z P:x P:z P:z P:z P:x P:x P:y P:y P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">49 71 54 43 30 22 28 73 85 97 35 67 34 38 62 29 86 59 83 26 36 98 61 94 87 77 99 27 37 79 24 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O 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">-9.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="33">2.35 2.00 1.96 1.86 1.85 1.82 1.79 1.68 1.50 1.49 1.48 1.46 1.42 1.41 1.36 1.35 1.30 1.30 1.25 1.22 1.21 1.19 1.18 1.09 1.08 1.08 1.06 1.05 1.04 1.04 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:x P:x P:z P:z P:z P:x P:z P:y P:y P:x D:xz P:y P:y P:z P:z P:y P:y D:z2 P:x P:x P:y P:y P:z P:z P:z P:y P:y P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">38 61 27 49 71 85 93 73 36 98 22 102 53 80 54 43 79 24 100 26 28 77 99 39 95 51 94 87 59 82 83 57 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O Tc O O O O O O Tc 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">-9.808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.62 5.56 5.54 5.52 5.24 5.19 3.88 3.80 3.62 2.16 2.14 1.97 1.95 1.90 1.88 1.76 1.75 1.73 1.41 1.38 1.36 1.36 1.34 1.33 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:z P:x P:x P:x P:x P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">98 36 45 41 60 25 27 61 39 29 62 35 97 33 66 22 43 54 35 97 43 98 54 36 45 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-9.782</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.91 6.91 6.57 6.55 5.10 5.10 5.00 4.97 2.48 2.48 2.23 2.21 1.83 1.83 1.77 1.77 1.38 1.38 1.36 1.36 1.23 1.22 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">83 59 82 57 75 91 74 76 24 79 95 51 81 56 77 99 56 51 81 95 56 81 51 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-9.747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">478</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.00 9.72 4.97 4.95 3.15 3.13 2.79 2.78 2.19 1.87 1.86 1.74 1.73 1.72 1.71 1.71 1.38 1.23 1.23 1.22 1.22 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">100 22 44 69 46 52 47 70 39 52 46 64 31 52 46 30 28 98 36 68 42 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc 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">-9.650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.99 6.70 3.83 2.93 2.93 2.81 2.81 2.55 2.44 2.43 2.01 2.00 1.83 1.83 1.76 1.75 1.56 1.54 1.53 1.38 1.37 1.37 1.15 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:z P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y D:x2-y2 P:x P:x P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">23 21 21 84 89 57 82 73 83 59 53 80 90 72 51 95 102 75 91 50 55 93 63 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">480</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.61 6.38 6.14 4.16 3.53 3.29 3.25 3.14 2.59 2.27 2.18 2.18 2.16 1.88 1.88 1.70 1.69 1.61 1.58 1.56 1.52 1.50 1.31 1.29 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:z2 P:x P:x P:x P:x P:x P:z P:x D:x2-y2 P:z P:z D:x2-y2 P:x P:x P:x P:x P:y P:y P:z P:x P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">100 101 37 30 26 65 32 37 28 100 98 36 101 60 25 67 34 54 43 39 29 62 97 35 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Tc Tc O O O O O O O Tc O O Tc 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">-9.595</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">481</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.13 6.11 5.45 5.45 4.53 4.53 1.99 1.95 1.64 1.62 1.60 1.59 1.57 1.55 1.53 1.51 1.49 1.48 1.48 1.46 1.46 1.46 1.45 1.45 1.41 1.41 1.35 1.33 1.23 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:z P:z P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:x P:z P:x P:x D:xy D:xy P:x D:xy D:xy P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">54 43 61 27 97 35 32 65 41 45 35 98 36 97 43 54 67 62 34 67 34 16 3 29 17 4 32 65 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O W W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">3.82 3.80 2.99 2.96 2.94 2.66 2.64 2.41 2.24 2.11 2.09 2.00 1.94 1.85 1.83 1.50 1.50 1.44 1.42 1.29 1.29 1.28 1.27 1.26 1.26 1.26 1.24 1.23 1.22 1.22 1.10 1.10 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:x P:x P:x P:y P:y P:x P:z P:y P:y P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z P:z P:x P:x P:x D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">43 54 34 67 28 27 61 26 39 36 98 22 30 66 33 42 68 66 33 29 62 34 30 67 47 70 29 41 45 62 65 32 100 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">6.05 6.04 4.97 4.97 3.74 3.72 2.19 2.15 2.02 2.02 1.85 1.85 1.64 1.64 1.57 1.55 1.48 1.47 1.39 1.39 1.35 1.35 1.27 1.26 1.25 1.24 1.12 1.12 1.11 1.10 1.08 1.08 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:z P:z D:xy D:xy D:xy D:xy P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y D:xy D:xy P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">81 56 74 76 95 51 56 81 24 79 80 53 95 51 94 87 8 13 9 19 53 80 94 77 87 99 51 82 95 57 12 7 24 59 83 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O W W W W O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.532</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.38 4.42 4.38 2.81 2.80 2.74 2.72 2.71 2.71 2.66 2.64 2.41 2.41 2.23 2.12 1.78 1.78 1.41 1.41 1.24 1.23 1.23 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y D:xy P:y P:x P:x P:x P:x D:xy P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">23 72 90 90 72 90 72 88 78 55 50 58 63 103 21 57 82 87 94 102 51 95 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O Tc O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.29 4.88 2.45 2.45 2.41 2.41 2.21 2.16 2.15 2.00 1.88 1.88 1.60 1.59 1.22 1.20 1.19 1.11 1.09 1.09 1.06 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:x P:x P:x P:x P:x P:z P:z D:xz P:z P:z P:x P:x P:x P:x P:x P:z P:y P:y P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">40 38 52 46 70 47 22 44 69 100 49 71 38 40 21 68 42 96 98 36 55 50 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O Tc O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.55 2.50 1.92 1.61 1.37 1.36 1.35 1.35 1.35 1.34 1.33 1.32 1.32 1.31 1.31 1.13 1.13 1.12 1.10 1.09 1.03 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:x P:z P:z P:x D:xz P:x P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">40 23 38 22 52 46 70 47 38 28 87 94 44 69 85 87 94 40 102 23 90 72 85 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">487</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.65 3.10 3.10 3.09 3.09 2.86 2.85 2.81 2.79 2.79 2.79 2.50 2.49 2.45 2.44 2.11 2.10 1.70 1.68 1.64 1.63 1.52 1.52 1.50 1.39 1.38 1.21 1.20 1.20 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:y P:y P:y P:y P:y P:y D:z2 P:y D:z2 P:y P:y P:x P:x P:y P:y P:z P:z P:x P:x P:z P:z P:y P:z P:z P:y P:x P:x D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">38 60 25 61 27 35 97 43 1 54 14 98 36 46 52 45 41 25 60 67 34 66 33 37 29 62 40 65 32 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O W O W O O 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">-9.402</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">15.14 6.48 6.44 2.63 2.43 2.42 1.95 1.89 1.88 1.78 1.78 1.55 1.54 1.54 1.53 1.35 1.34 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:x P:x P:y P:z P:z P:y P:y P:y P:y P:y P:x P:x P:y P:y P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">96 72 90 23 72 90 21 88 78 89 84 78 88 92 48 81 56 102</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 O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">7.88 3.82 2.86 2.86 2.05 2.04 1.51 1.50 1.34 1.33 1.18 1.08 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:y P:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">38 96 46 52 52 46 75 91 76 74 39 49 71 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-9.384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.70 2.33 2.07 2.07 2.07 2.06 2.03 2.00 2.00 1.99 1.92 1.92 1.91 1.89 1.60 1.59 1.58 1.55 1.34 1.33 1.32 1.30 1.17 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y D:z2 D:z2 P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 23 6 11 46 52 51 76 95 74 56 81 75 91 59 83 91 75 82 57 76 74 52 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O W W 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">-9.378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">21.27 7.44 6.27 3.52 3.49 3.26 3.23 2.73 2.33 2.32 2.07 1.93 1.86 1.40 1.35 1.21 1.20 1.11 1.11 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z P:z P:z P:z P:x P:x D:x2-y2 P:x P:x P:z P:x P:x P:x P:x P:x P:x S P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -26.921 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">21 96 21 84 89 59 83 102 89 84 23 86 96 90 72 63 58 21 55 50 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O Tc O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">5.08 4.86 4.85 4.84 2.88 2.77 2.66 2.65 2.25 2.23 1.66 1.65 1.60 1.60 1.50 1.16 1.16 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xz P:z P:x P:x P:z P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">103 39 57 82 23 93 41 45 75 91 82 57 50 55 85 95 51 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc 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">-9.289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">19.34 11.47 5.36 5.36 5.32 2.44 2.41 2.39 2.37 1.82 1.80 1.79 1.78 1.20 1.20 1.20 1.19 1.11 1.11 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y D:xy P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">40 22 100 52 46 68 42 68 42 46 52 69 44 54 31 43 64 70 47 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O Tc 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">-9.234</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.92 4.98 4.65 4.56 4.55 3.78 3.75 3.56 3.55 3.21 2.79 2.79 2.44 2.41 2.37 2.36 2.12 1.93 1.68 1.67 1.64 1.63 1.47 1.40 1.39 1.39 1.38 1.38 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x D:z2 D:z2 P:y P:y P:z P:z P:x P:x P:x P:x P:x D:x2-y2 P:x P:y P:y P:z P:z P:x P:x P:y P:y P:x P:y P:x P:x D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">85 102 103 51 95 57 82 24 79 93 53 80 103 73 82 57 93 86 87 94 91 75 86 74 99 77 102 76 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O Tc Tc O O O O O O O O O Tc O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.212</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">495</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.53 6.37 4.98 4.65 3.56 3.54 3.02 3.00 2.85 2.64 2.39 2.39 2.12 2.10 1.97 1.95 1.76 1.75 1.50 1.28 1.25 1.24 1.23 1.13 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:z P:z P:y P:y P:x P:x D:xz P:x P:y P:y P:x P:x P:y P:y P:z P:z P:x P:z P:y P:y P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 26 28 22 33 66 98 36 100 37 65 32 43 54 34 67 67 34 28 30 62 29 38 40 60 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O Tc 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">-9.167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.40 7.71 5.55 5.53 4.34 4.31 3.88 3.86 3.38 3.37 2.86 1.55 1.34 1.26 1.24 1.04 1.03 1.02 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:x P:x P:y P:y P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">73 85 77 99 94 87 79 24 53 80 86 93 28 86 93 29 62 94 87 85 80</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.148</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">497</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.60 5.57 4.96 3.64 3.63 3.55 2.52 2.52 2.30 2.30 2.25 2.22 1.99 1.98 1.98 1.97 1.61 1.56 1.55 1.29 1.24 1.24 1.04 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y D:xy P:y P:x P:x P:y P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:y P:x P:x D:xy P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">23 103 39 57 82 38 50 55 72 90 45 41 92 48 92 48 96 95 51 101 51 95 49 71 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O Tc O O O O O O O O O O O O O O O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.10 4.04 4.03 3.69 3.51 2.42 2.42 2.39 2.05 1.94 1.94 1.80 1.80 1.73 1.72 1.71 1.60 1.60 1.51 1.38 1.24 1.23 1.21 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:y P:z P:x P:y P:y D:xz P:z P:x P:x P:y P:y P:x P:z P:x P:y P:y P:x P:z P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">28 62 29 26 22 32 65 100 22 62 29 67 34 43 30 54 99 77 30 38 31 64 85 73 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O Tc 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">-9.048</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">6.56 6.43 3.55 3.45 3.41 3.28 2.32 2.31 2.28 2.25 1.62 1.61 1.59 1.58 1.52 1.45 1.44 1.43 1.42 1.40 1.39 1.38 1.37 1.37 1.32 1.32 1.30 1.28 1.23 1.20 1.11 1.10 1.07 1.07 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:z P:y P:y P:z P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">61 27 97 35 54 43 41 36 98 45 97 29 62 35 33 41 66 36 98 45 31 74 76 64 81 56 42 68 25 60 61 25 60 27 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O 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">-9.046</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">500</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.61 4.57 3.99 3.91 3.91 2.83 2.81 2.39 2.38 2.27 2.25 2.04 2.03 1.82 1.81 1.81 1.49 1.49 1.42 1.42 1.37 1.37 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:z P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:x P:y P:y P:x P:x P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">66 33 37 54 43 27 61 35 97 41 45 67 34 33 66 26 45 41 67 34 71 49 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.042</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">501</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.73 5.72 5.47 5.44 3.94 3.90 2.12 2.11 2.03 2.01 1.73 1.71 1.68 1.63 1.61 1.48 1.46 1.45 1.37 1.34 1.29 1.27 1.17 1.16 1.14 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">74 76 81 56 59 83 92 48 59 83 24 79 57 82 27 61 95 51 91 75 76 74 95 51 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-9.021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">502</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.44 5.40 5.06 4.64 3.79 3.72 2.38 2.34 1.81 1.80 1.79 1.75 1.73 1.71 1.70 1.69 1.64 1.62 1.58 1.47 1.34 1.34 1.12 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:x P:z P:x P:x P:z P:z P:x P:x P:x P:z P:x P:x P:z P:x P:x P:y P:y P:x P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">24 79 21 93 81 56 24 79 53 80 73 76 72 90 74 59 83 59 83 96 81 56 83 59 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-9.001</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">4.37 4.09 4.02 3.74 3.74 2.65 2.65 2.40 2.40 2.36 2.27 2.27 2.06 2.05 1.96 1.75 1.75 1.74 1.73 1.57 1.57 1.39 1.38 1.38 1.37 1.36 1.35 1.26 1.22 1.21 1.12 1.12 1.11 1.11 1.10 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:x P:x P:y P:y P:x P:x P:z P:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">30 62 29 52 46 65 32 36 98 28 43 54 29 62 26 70 47 36 98 34 67 98 36 66 33 69 44 22 67 34 64 31 42 68 61 27 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O O O O O O O O O O O O O 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">-8.943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">504</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.36 3.78 2.87 2.76 2.75 2.57 2.51 2.30 2.29 2.27 2.27 2.02 2.01 1.90 1.88 1.74 1.73 1.73 1.72 1.68 1.68 1.67 1.67 1.67 1.66 1.62 1.60 1.53 1.08 1.06 1.05 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:x P:x P:x P:y P:y P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">73 86 85 95 51 77 99 82 57 72 90 76 74 99 77 51 91 95 75 58 63 87 94 57 82 80 53 96 39 94 87 74 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O 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">-8.920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.05 3.33 2.87 2.76 2.35 2.22 1.60 1.59 1.58 1.58 1.57 1.56 1.47 1.44 1.28 1.19 1.15 1.15 1.13 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:z P:x P:x P:z P:y P:y P:y P:y P:y P:y P:x P:x P:z P:x P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">28 26 73 30 37 85 44 69 49 25 71 60 93 86 40 26 68 42 96 73 28</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">506</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">2.96 2.64 2.63 2.49 2.47 2.22 2.20 2.17 2.15 2.00 2.00 1.80 1.56 1.56 1.31 1.24 1.24 1.24 1.22 1.19 1.16 1.10 1.10 1.06 1.06 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:y P:z P:z P:y P:x P:y P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">39 59 83 45 41 46 52 25 60 90 72 22 91 75 21 36 77 98 99 29 62 88 78 65 32 96 38 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-8.891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">507</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">6.28 3.48 2.76 2.54 2.05 2.01 1.98 1.94 1.93 1.93 1.49 1.49 1.46 1.45 1.40 1.39 1.35 1.35 1.31 1.31 1.22 1.19 1.16 1.12 1.11 1.10 1.07 1.05 1.05 1.05 1.05 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:x P:z P:z P:z P:z P:x P:z P:x P:z P:z P:z P:y P:y P:y P:y P:y P:y P:z P:x P:x P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">85 93 26 28 86 73 73 95 86 51 63 58 89 84 91 75 99 77 39 30 37 69 44 76 74 71 49 55 48 92 50 23 59 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">508</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.56 2.56 2.26 2.25 2.07 2.06 2.01 2.01 1.77 1.77 1.73 1.73 1.71 1.59 1.58 1.58 1.57 1.54 1.29 1.28 1.18 1.17 1.15 1.11 1.10 1.05 1.05 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:x P:x P:x P:x P:y P:x P:x P:x P:x D:xy P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">59 83 46 52 90 72 99 77 25 60 78 88 22 98 36 55 50 21 99 77 35 97 103 94 87 35 97 33 81 56 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O Tc 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">-8.723</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.50 7.37 5.31 5.24 3.87 3.84 3.64 3.62 2.67 2.63 2.36 2.34 2.09 2.08 1.86 1.85 1.73 1.72 1.36 1.35 1.35 1.35 1.34 1.29 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">63 58 53 80 89 84 99 77 78 88 89 84 77 99 59 83 53 80 91 56 75 96 81 91 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-8.717</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.46 10.24 4.26 4.19 2.97 2.94 2.86 2.84 2.44 2.40 2.07 2.05 1.99 1.98 1.98 1.96 1.95 1.92 1.92 1.91 1.68 1.67 1.55 1.51 1.09 1.06 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">70 47 65 32 69 44 54 43 66 33 42 68 66 33 69 98 44 97 36 35 65 32 67 34 40 25 60 71 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O 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">-8.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.13 8.27 8.17 8.16 3.73 3.73 2.46 2.38 2.36 2.35 2.34 2.24 2.09 2.01 1.64 1.62 1.51 1.11 1.11 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:y P:z P:y P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">30 47 37 70 67 34 67 34 65 32 31 64 32 65 31 26 64 61 27 68 33</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.49 6.41 4.19 4.07 3.94 3.85 2.42 2.41 2.38 2.35 2.31 2.30 2.15 2.11 1.98 1.98 1.92 1.86 1.66 1.63 1.61 1.54 1.12 1.11 1.07 1.05 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">29 62 64 31 66 33 49 70 47 71 29 62 41 45 42 34 68 67 97 64 35 31 98 36 22 52 46 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O 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">-8.677</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">513</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.70 8.60 7.22 7.16 3.76 3.69 3.10 2.99 2.52 2.48 2.25 2.24 1.73 1.71 1.55 1.52 1.44 1.42 1.42 1.41 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">58 63 93 86 80 53 80 53 87 94 88 78 87 94 92 48 84 89 74 76 24 79</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">-8.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.29 9.15 4.78 4.67 3.67 3.59 2.98 2.98 2.90 2.82 2.75 2.72 2.72 2.65 2.64 2.49 2.45 1.57 1.54 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:y P:y P:z P:z P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">79 24 92 48 58 63 77 99 23 58 63 87 94 90 72 79 24 95 51 50 55</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.639</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.26 6.67 4.64 3.63 3.60 2.41 2.41 2.21 2.12 2.08 1.71 1.66 1.65 1.34 1.28 1.26 1.26 1.24 1.17 1.16 1.12 1.12 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:y P:y P:z P:z P:z P:y P:y P:x P:y P:y P:y P:z P:y P:y P:y P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">28 26 39 64 31 60 25 30 69 44 30 61 27 48 73 71 92 49 69 44 41 45 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-8.587</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.14 4.13 3.87 3.66 3.60 3.47 3.45 3.25 2.69 2.57 2.31 2.11 2.02 1.60 1.58 1.35 1.10 1.05 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:y P:y P:y P:y P:z P:x P:z P:x P:x P:z P:x P:x P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">68 42 37 48 92 88 78 26 86 93 93 37 86 63 58 39 85 68 42 69 44</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.582</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.99 5.05 5.02 4.98 3.44 3.27 2.55 2.54 2.26 2.24 2.15 2.13 2.08 2.07 2.02 1.98 1.95 1.86 1.84 1.41 1.14 1.13 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:y P:y P:x P:z P:y P:y P:x P:x P:z P:z P:y P:y P:z P:x P:x P:z P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">85 73 88 78 86 86 84 89 84 89 75 91 42 68 37 63 58 78 88 26 82 57 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O 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">-8.559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.14 3.94 3.94 3.91 3.65 3.02 3.01 2.95 2.92 2.81 2.80 2.72 2.18 2.17 1.60 1.59 1.43 1.40 1.12 1.10 1.06 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:y P:y P:z P:y P:y P:z P:z P:y P:y P:z P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">30 37 31 64 73 68 42 30 93 92 48 37 47 70 36 98 84 89 32 65 64 31 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-8.548</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.32 5.81 5.17 4.98 4.96 3.98 3.95 3.90 2.95 2.63 2.62 2.57 2.57 2.57 2.22 2.21 2.11 1.97 1.93 1.47 1.40 1.38 1.19 1.19 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:x P:z P:y P:y P:y P:y P:x P:z P:x P:x P:z P:x P:x P:z P:z P:z P:x P:x P:x P:y P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">28 26 26 44 69 49 71 28 40 62 29 38 66 33 44 69 93 52 46 37 48 92 49 71 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-8.539</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.81 6.56 6.49 4.71 4.49 4.29 3.48 3.34 2.90 2.82 2.81 2.64 2.56 2.56 2.32 2.18 1.93 1.79 1.76 1.66 1.62 1.57 1.56 1.33 1.22 1.20 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:y P:x P:x P:z P:y P:y P:x P:x P:x P:z P:x P:x P:z P:x P:z P:x P:x P:z P:z P:z P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">85 55 50 73 85 73 89 84 86 77 99 93 79 24 96 93 23 72 90 55 89 50 84 94 55 50 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-8.532</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">521</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.17 5.15 4.30 4.21 3.80 3.79 3.47 3.46 2.94 2.93 2.69 2.69 2.35 2.34 2.32 2.31 2.20 2.19 2.18 2.14 1.89 1.85 1.69 1.69 1.67 1.67</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">46 52 70 47 98 36 45 41 62 29 66 33 43 54 35 97 64 31 71 49 38 40 68 42 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-8.514</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">522</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">12.54 11.94 9.89 9.56 7.03 6.84 3.14 3.14 2.39 2.34 2.23 2.19 1.74 1.73 1.57 1.53 1.29 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">63 58 94 87 53 80 50 55 84 89 87 94 53 80 55 50 94 87</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.507</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.32 9.19 8.68 8.52 7.93 7.81 3.01 2.81 2.74 2.70 2.32 2.24 2.00 1.95 1.94 1.92 1.84 1.80 1.80 1.78 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:x P:x P:y P:y P:y P:y P:z P:z P:y P:y P:y P:z P:y P:z P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">67 34 70 47 65 32 38 40 71 49 71 49 69 67 44 34 65 32 69 44 67 34</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">-8.501</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.03 5.82 3.67 3.19 3.11 3.05 2.94 2.83 2.31 2.09 2.06 1.86 1.67 1.65 1.65 1.61 1.41 1.35 1.34 1.25 1.14 1.11 1.09 1.08 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:z P:y P:y P:y P:y P:x P:z P:x P:x P:x P:x P:x P:x P:z P:x P:x P:z P:y P:y P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">47 70 37 32 65 34 67 37 86 34 67 58 32 65 63 39 46 52 40 87 94 68 49 71 42 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-8.494</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">20.91 4.54 4.36 4.32 3.56 3.55 2.36 2.35 2.33 2.30 1.95 1.95 1.65 1.62 1.37 1.37 1.09 1.08 1.07 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">21 96 59 83 89 84 89 84 74 76 99 77 57 82 51 95 72 90 59 83 72 90</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">-8.483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">526</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.21 4.91 4.27 3.75 3.44 3.42 2.63 2.58 2.35 2.17 1.79 1.76 1.75 1.68 1.68 1.59 1.56 1.56 1.55 1.47 1.43 1.35 1.35 1.34 1.23 1.19 1.14 1.08 1.07 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:z P:y P:y P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:x P:y P:y P:z P:x P:x P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">58 63 86 87 94 86 47 70 80 53 34 67 87 94 30 93 88 50 78 55 37 32 65 96 80 53 30 34 67 90 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-8.464</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">26.93 8.64 8.60 4.98 4.97 2.90 2.89 2.58 2.57 1.45 1.44 1.43 1.43 1.38</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:y P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">21 81 56 88 78 78 88 57 82 72 95 90 51 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-8.443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.46 2.90 2.05 2.04 1.88 1.87 1.87 1.81 1.80 1.79 1.77 1.69 1.68 1.52 1.41 1.40 1.33 1.11 1.11 1.06 1.06 1.06 1.05 1.05 1.05 1.05 1.04 1.03 1.03 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:x P:x P:x P:x P:x P:z P:x P:z P:x P:y P:y P:z P:x P:x P:x P:z P:z P:x P:x P:x P:z P:z P:y P:z P:y P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">39 93 24 79 73 62 29 85 58 28 63 50 55 37 80 53 30 74 76 45 41 28 27 26 49 61 71 62 29 98 36 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-8.417</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.82 2.94 2.46 2.34 2.33 2.26 2.25 2.20 2.18 2.01 1.96 1.92 1.92 1.72 1.70 1.37 1.37 1.34 1.32 1.31 1.31 1.18 1.15 1.15 1.09 1.09 1.06 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">30 37 86 33 66 62 29 35 97 64 31 54 43 89 84 24 79 98 36 31 64 28 77 99 56 81 91 75 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">530</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">10.22 10.07 6.74 4.00 3.97 3.76 3.72 3.44 3.38 2.96 2.92 2.75 2.70 1.40 1.38 1.15 1.12 1.07 1.07 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">60 25 22 45 41 27 61 98 36 41 45 36 98 69 44 71 49 67 39 34 43</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.80 4.40 4.33 4.32 3.37 3.36 2.54 2.46 2.18 2.14 2.12 1.97 1.72 1.72 1.42 1.41 1.39 1.32 1.16 1.12 1.10 1.07 1.07 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:z P:y P:y P:y P:y P:x P:z P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:z P:x P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">93 74 76 30 92 48 64 31 88 39 78 85 99 77 58 63 27 61 56 81 88 51 78 91 75 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-8.382</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.48 6.36 4.45 4.37 3.37 3.36 3.04 3.03 2.91 2.85 2.81 2.81 2.56 2.50 2.39 2.29 2.27 2.21 2.20 1.76 1.74 1.69 1.68 1.65 1.63 1.33 1.30 1.29 1.28 1.23 1.22 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:y P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:y P:x P:x P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">25 60 44 69 47 70 36 98 49 71 61 27 27 61 22 44 69 41 45 32 65 31 64 49 71 25 42 68 60 34 67 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O 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">-8.378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.87 3.86 3.13 2.76 2.74 2.57 2.32 2.32 1.89 1.89 1.85 1.84 1.73 1.51 1.42 1.42 1.41 1.40 1.24 1.24 1.21 1.19 1.15 1.15 1.13 1.12 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:y P:y P:z P:y P:y P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">47 70 37 42 68 30 31 64 76 74 71 49 26 28 69 44 34 67 63 58 32 65 66 33 62 29 78 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-8.359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">534</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.07 8.04 3.88 3.75 2.57 2.56 2.03 1.95 1.94 1.67 1.62 1.52 1.52 1.37 1.37 1.33 1.31 1.31 1.29 1.23 1.21 1.20 1.19 1.18 1.14 1.13 1.08 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:z P:z P:x P:x P:z P:x P:x P:y P:y P:z P:z P:z P:z P:z P:y P:z P:y P:z P:z P:z P:z P:x P:z P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">25 60 61 27 44 69 86 49 71 25 60 69 44 71 49 70 88 47 78 73 38 58 63 28 97 35 32 65 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O 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">-8.355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.86 11.62 7.27 7.06 6.91 6.69 2.96 2.88 2.49 2.37 1.54 1.54 1.47 1.45 1.42 1.26 1.26 1.21 1.16 1.15 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:x P:x P:z P:z P:x P:x P:z P:z P:y P:y P:y P:z P:z P:y P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">91 75 55 50 91 75 89 84 55 50 76 74 39 63 58 96 89 84 83 59 21</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.17 6.98 4.22 4.12 3.58 3.56 3.31 3.29 3.26 2.68 2.64 2.05 2.01 1.97 1.96 1.95 1.63 1.59 1.54 1.47 1.19 1.18 1.15 1.13 1.07 1.07 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:z P:x P:x P:z P:z P:z P:x P:x P:z P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">27 61 25 60 44 69 37 42 68 49 71 30 42 68 31 64 31 64 25 60 54 43 42 68 98 46 36 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-8.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.07 8.11 3.92 3.38 2.82 2.69 2.34 2.16 2.11 2.08 2.06 2.00 1.83 1.74 1.70 1.58 1.21 1.12 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z P:z P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">76 74 27 61 91 75 86 73 83 59 81 56 73 78 85 88 58 92 63 28</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">-8.338</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">538</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.21 5.13 4.19 3.92 3.56 3.03 2.71 2.64 2.61 2.51 2.48 2.44 2.34 2.32 1.82 1.80 1.74 1.69 1.66 1.65 1.64 1.64 1.55 1.48 1.44 1.35 1.34 1.15 1.10 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:z P:z P:z P:z P:y P:z P:y P:z P:y P:y P:y P:y P:x P:y P:y P:y P:x P:y P:x P:y P:z P:x P:z P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">25 60 61 74 27 76 76 52 39 46 74 25 22 60 48 57 38 82 88 23 92 40 90 78 72 61 27 49 71 82 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-8.328</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">539</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.98 4.89 3.82 3.78 3.71 3.64 3.60 2.97 2.86 2.58 2.46 2.44 2.36 2.18 2.11 1.77 1.59 1.53 1.37 1.23 1.20 1.10 1.08 1.07 1.07 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:x P:z P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">57 82 74 76 22 83 59 92 48 95 51 61 27 60 25 91 75 55 50 52 46 64 59 57 83 92 31 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-8.322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">540</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.30 8.25 7.15 6.83 4.97 2.72 2.71 2.59 2.50 2.45 2.40 2.35 2.32 2.20 2.17 2.01 1.92 1.90 1.58 1.56 1.52 1.47 1.38 1.14 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:x P:x P:z P:z P:z P:z P:x P:x P:x P:y P:x P:y P:x P:x P:x P:x P:y P:z P:y P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">75 91 50 55 93 23 50 55 84 89 51 75 95 91 82 57 23 86 48 48 92 92 85 82 57 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-8.316</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">541</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.47 6.46 5.86 5.14 4.74 4.22 2.41 2.40 1.97 1.97 1.72 1.71 1.62 1.57 1.41 1.34 1.29 1.26 1.25 1.24 1.24 1.15 1.13 1.11 1.10 1.08 1.06 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:y P:z P:z P:y P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:z P:x P:z P:y P:x P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">76 74 22 75 91 39 83 59 78 88 64 31 72 90 80 53 57 97 82 21 35 59 83 61 27 87 81 56 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O 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">-8.285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.06 4.05 4.05 3.76 3.74 2.95 2.89 2.88 2.79 2.77 2.15 2.14 1.73 1.72 1.61 1.56 1.51 1.23 1.22 1.20 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:x P:x P:x P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">39 48 92 95 51 93 92 48 74 76 31 64 97 35 73 27 61 31 64 28 49 71</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">-8.273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">30.83 6.62 6.59 6.45 6.43 4.03 3.96 2.61 2.59 2.38 2.36 1.49 1.46 1.43 1.42</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">22 68 42 54 43 61 27 43 54 42 68 60 25 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-8.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">544</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">21.46 7.12 7.06 5.38 5.33 3.86 3.82 2.76 2.76 2.75 2.73 1.57 1.54 1.35 1.34 1.34 1.34 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:x P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 95 51 48 92 35 97 64 95 51 31 48 92 76 74 97 35 91 75</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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.50 5.47 4.43 4.40 3.80 3.78 3.56 3.52 2.80 2.77 2.69 2.69 2.63 2.62 2.32 2.31 1.93 1.91 1.56 1.55 1.39 1.37 1.37 1.35 1.28 1.25 1.23 1.21 1.03 1.03 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">35 97 43 54 27 61 97 35 54 43 62 29 66 33 70 47 98 36 45 41 32 65 34 67 29 62 65 32 43 31 68 54 42 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.078</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">546</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">6.28 6.26 3.35 3.30 3.03 3.01 2.95 2.91 2.90 2.88 2.78 2.78 2.44 2.43 2.40 2.38 2.24 2.24 2.02 2.01 1.86 1.86 1.53 1.52 1.50 1.50 1.23 1.22 1.21 1.18 1.14 1.13 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">56 81 81 56 95 51 51 77 95 99 83 59 99 77 80 53 76 74 80 53 58 63 57 82 24 79 92 48 77 99 51 95 83 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.066</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">547</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">2.99 2.95 2.79 2.77 2.76 2.75 2.69 2.69 2.49 2.47 2.46 2.41 2.31 2.30 2.22 2.22 2.05 2.03 1.97 1.95 1.83 1.80 1.80 1.80 1.64 1.62 1.43 1.42 1.41 1.40 1.24 1.23 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:x P:x P:z P:z P:x P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z P:x P:z P:x P:x P:x P:z P:x P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">32 65 34 62 29 67 66 33 94 87 53 80 79 24 34 67 99 77 87 94 62 32 29 65 66 33 79 53 24 80 77 99 85 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">548</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.26 6.39 6.26 5.33 2.37 2.37 2.35 2.35 2.15 2.00 2.00 1.82 1.82 1.77 1.75 1.73 1.72 1.71 1.70 1.41 1.28 1.23 1.23 1.11 1.11 1.11 1.10 1.07 1.05 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">26 30 37 28 27 61 43 54 30 36 98 60 25 26 37 41 45 97 35 28 39 62 29 32 65 24 79 94 67 34 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-8.016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">549</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">4.23 3.67 3.59 3.23 3.08 2.46 2.35 2.10 2.03 1.91 1.78 1.73 1.71 1.66 1.64 1.64 1.53 1.52 1.52 1.50 1.48 1.41 1.41 1.32 1.31 1.31 1.28 1.17 1.08 1.07 1.07 1.06 1.06 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:x P:x P:y P:y P:z P:z P:x P:x P:z P:y P:x P:x P:y P:z P:x P:z P:x P:y P:x P:z P:x P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">39 97 35 41 45 36 98 54 43 54 37 30 97 43 24 79 85 94 37 35 87 28 36 94 53 87 80 98 26 77 79 99 57 82 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O 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">-8.010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">550</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.26 7.00 6.61 6.37 6.06 5.79 5.39 5.18 5.01 4.84 4.79 4.75 4.57 4.50 3.25 3.03 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:x P:x P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">67 34 65 32 98 36 45 41 33 66 43 29 62 54 35 97 67 34</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">551</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.69 7.64 6.51 6.43 6.33 6.27 5.57 5.49 5.11 5.03 4.87 4.79 3.44 3.39 3.24 3.19 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">82 57 51 95 87 94 99 77 80 53 24 79 83 59 56 81 57 82</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.947</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">552</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">11.13 11.09 10.89 10.89 10.66 8.93 7.52 7.35 1.85 1.83</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">61 27 60 25 28 26 37 30 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-7.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">553</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.38 6.18 6.13 6.10 5.62 5.60 5.57 3.36 3.33 3.08 3.06 3.02 2.65 2.63 2.62 2.46 1.99 1.86 1.85 1.73 1.73 1.60 1.59 1.37 1.36 1.21 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:z P:y P:z P:y P:z P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">73 95 51 93 86 57 82 59 83 81 56 93 95 85 51 86 85 74 76 81 56 83 59 57 82 91 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-7.902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">554</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.11 11.72 11.70 9.50 9.47 8.20 7.98 6.41 1.45 1.41 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">P:x P:y P:y P:y P:y P:x P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">85 76 74 91 75 86 93 73 91 75 48 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-7.824</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">555</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.28 9.19 7.26 7.24 4.35 4.35 4.23 4.20 3.85 3.83 3.70 3.70 3.69 3.69 3.43 3.41 1.77 1.70 1.55 1.48 1.32 1.31</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">27 61 60 25 66 33 61 27 25 60 29 62 32 65 34 67 26 28 37 30 65 32</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">-7.823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">556</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.03 8.93 7.33 7.22 4.90 4.87 4.11 4.10 4.09 4.04 3.86 3.85 2.68 2.68 2.60 2.59 1.85 1.68 1.67 1.66 1.60 1.38 1.37 1.31 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:x P:x P:y P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">74 76 75 91 79 24 87 76 94 74 91 75 77 99 53 80 85 79 24 86 73 56 81 93 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-7.729</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">557</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.24 4.23 4.22 4.21 4.17 4.16 3.91 3.89 3.82 3.80 3.52 3.50 2.84 2.84 2.68 2.67 2.53 2.53 2.37 2.37 2.34 2.33 2.11 2.10 2.10 2.09 1.97 1.96 1.56 1.55 1.42 1.41</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:x P:x P:y P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">43 29 62 54 29 62 33 66 33 66 35 97 32 65 34 67 34 67 97 35 36 98 54 41 43 45 32 65 45 41 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-7.656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">558</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.27 5.21 4.22 4.17 3.77 3.77 3.56 3.54 3.48 3.45 3.34 3.32 3.26 3.23 3.23 3.22 3.02 3.01 2.86 2.86 2.18 2.18 2.17 2.16 1.80 1.78 1.21 1.19 1.04 1.03 1.01 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:z P:x P:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y P:z P:z P:z P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">51 95 57 82 99 77 95 51 24 79 82 57 24 87 79 94 80 53 99 77 87 94 80 53 56 81 59 83 81 56 79 57 82 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-7.597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">559</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">12.54 12.49 7.71 7.50 6.52 6.00 5.90 5.88 1.95 1.94 1.28 1.25 1.24 1.22 1.22 1.22 1.22 1.19 1.18 1.13 1.13 1.03 1.03 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:z P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">61 27 37 30 28 26 60 25 25 60 37 65 32 62 66 29 33 62 29 67 34 34 67 65 66 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-7.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">560</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.72 10.69 10.06 9.36 5.50 5.49 5.26 4.69 1.80 1.72 1.70 1.60 1.59 1.54 1.54 1.46 1.43 1.11 1.09 1.09 1.08 1.07 1.06 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:z P:y P:x P:y P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">74 76 93 85 75 91 86 73 93 91 75 51 95 82 57 95 51 82 79 57 24 53 80 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-6.895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">561</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">42.00 5.31 5.26 4.10 4.06 3.68 3.62 3.05 2.73 2.26 2.25 1.93 1.90 1.67 1.62 1.60 1.26 1.23 1.17 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz P:x P:x P:x P:x P:z P:z D:z2 D:xz P:y P:y P:x P:x P:z P:x P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">102 56 81 83 59 56 81 102 102 83 59 88 78 21 84 89 83 59 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc O O O O O O Tc Tc 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">-6.639</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">562</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">44.27 18.55 3.07 3.03 2.89 2.84 2.82 2.70 2.68 1.68 1.67 1.29 1.27 1.16 1.14 1.13 1.12 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xy P:y P:x P:x P:x P:x D:xy P:z P:z P:z P:z P:x P:x P:y P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">102 21 81 56 59 83 102 81 56 83 59 78 88 59 89 84 83 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc O O O O O Tc 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">-6.549</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">563</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">28.92 10.94 6.16 6.14 3.98 3.90 3.89 3.11 3.09 2.58 2.57 2.39 2.31 1.70 1.60 1.30 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:z2 D:x2-y2 P:y P:y P:x P:z P:z P:z P:z P:y P:y P:x D:z2 D:z2 D:x2-y2 P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 4.546 -6.750 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.00 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 101 45 41 26 97 35 41 45 35 97 30 100 101 100 26 101 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc O O O O O O O O O O Tc Tc Tc O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">564</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">28.09 13.31 5.78 5.76 4.91 4.86 4.41 4.37 4.08 3.16 2.83 2.80 2.08 1.61 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:z2 D:x2-y2 P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:z D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">102 102 56 81 59 83 83 59 73 86 81 56 86 102 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc O O O O O O O O O O O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">565</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">40.68 11.15 3.82 3.74 2.85 2.78 2.76 2.70 2.60 2.56 1.68 1.62 1.39 1.31 1.12 1.08 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz P:z P:y P:y P:x P:z P:x P:z D:x2-y2 D:xz P:x P:x P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 39 35 97 45 45 41 41 101 101 35 97 35 97 71 49 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc O O O O O O O Tc Tc 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">-6.415</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">566</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">42.93 15.27 3.10 3.04 2.88 2.83 2.72 2.21 1.80 1.74 1.55 1.52 1.47 1.46 1.36 1.31 1.11 1.10 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy P:y P:z P:z D:xy P:x P:x D:xy P:z P:z P:y P:x P:x P:y P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">101 39 97 35 103 41 45 101 41 45 97 97 35 35 41 45 49 64 71 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc O O O Tc O O Tc 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">-6.150</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">567</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">26.19 17.99 4.67 4.65 3.71 3.70 3.18 2.98 2.97 2.97 2.94 2.48 2.06 1.41 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:z2 D:x2-y2 P:z P:z P:y P:y P:x P:z P:z P:y P:y P:x D:z2 P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">100 100 36 98 43 54 28 54 43 98 36 37 101 37 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc O O O O O O O O O O Tc O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">568</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">60.66 2.92 2.91 2.46 2.46 2.21 2.19 2.18 2.03 1.68 1.28 1.28 1.25 1.25 1.16 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xz P:x P:x P:x P:x D:xz P:z P:z D:z2 P:z P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 4.546 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">100 43 54 98 36 100 43 54 100 22 42 68 43 54 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc O O O O Tc O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">569</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">64.63 10.83 1.48 1.47 1.45 1.34 1.34 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">D:xy P:y P:z P:z D:xy P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">1.00 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">100 22 54 43 100 36 98 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">Tc O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">570</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">25.29 18.25 8.04 3.65 2.53 2.50 1.90 1.72</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">D:x2-y2 D:xz D:z2 D:z2 D:x2-y2 D:xz P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -6.750 -6.750 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.00 1.00 1.00 1.00 1.00 1.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">101 103 101 103 103 101 39 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Tc Tc Tc Tc Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">571</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">22.41 12.16 4.94 4.88 3.15 3.14 3.03 3.03 2.86 2.86 1.94 1.63 1.62 1.21 1.19 1.07 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:x2-y2 D:z2 D:z2 D:x2-y2 P:x D:xy D:xy D:xy D:xy P:x D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:yz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.00 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">103 103 6 11 101 85 12 7 9 19 93 6 11 19 9 9 19 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc W W Tc O W W W W O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">572</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.85 5.84 5.79 5.78 3.73 3.72 3.58 3.57 2.52 2.50 2.28 2.26 1.79 1.78 1.62 1.62 1.55 1.55 1.42 1.42 1.09 1.08 1.07 1.06 1.06 1.05 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz D:xz D:xz D:z2 D:z2 P:y P:y P:y P:y D:z2 D:z2 D:yz D:yz D:z2 D:z2 D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 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 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">18 5 15 2 3 16 4 17 2 15 5 18 5 18 45 41 98 36 2 15 4 17 16 17 3 4 35 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W O O O O W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">573</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.13 6.09 4.98 4.95 4.31 4.31 3.36 3.34 2.71 2.68 1.97 1.94 1.82 1.81 1.57 1.56 1.44 1.42 1.38 1.38 1.37 1.36 1.36 1.34 1.16 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz D:xz D:xz P:y P:y D:z2 D:z2 D:z2 D:z2 P:y D:z2 P:y D:yz D:z2 D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">20 10 12 7 8 13 9 19 10 20 7 12 83 59 10 20 7 12 82 13 57 8 8 13 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W O O W W W W O W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">574</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">12.47 12.41 4.88 4.85 2.17 2.17 2.17 2.16 2.12 2.11 2.10 2.09 1.63 1.62 1.19 1.18 1.16 1.16 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y D:xy D:xy P:y P:y D:xy D:xy D:xy D:xy P:z P:z D:xy D:xy D:xz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">14 1 14 1 61 27 15 2 60 25 18 5 17 4 25 60 3 16 5 2 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O O W W O O W W W W O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.476</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">575</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">12.17 12.10 4.81 4.80 2.73 2.70 2.03 2.03 1.95 1.94 1.69 1.68 1.46 1.46 1.43 1.42 1.26 1.26 1.24 1.23 1.23 1.21 1.15 1.14 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:y P:y D:xz D:xz P:y P:y D:xy D:xy D:xy D:xy D:xy D:xy P:z P:z D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">6 11 6 11 12 7 74 76 75 91 7 12 57 82 8 13 10 20 19 9 91 75 12 7 51 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O O O W W O O W W W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">576</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.04 4.95 4.52 4.46 3.18 3.15 3.11 3.08 2.17 1.48 1.47 1.47 1.43 1.40 1.39 1.33 1.31 1.29 1.27 1.23 1.21 1.16 1.11 1.07 1.06 1.06 1.05 1.05 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:yz D:yz D:yz D:yz D:z2 D:z2 P:y D:z2 P:y D:z2 P:y P:y D:xz D:xz D:xz D:xz D:xz D:xz P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">3 16 17 4 2 18 15 5 103 17 4 3 16 3 16 35 17 97 4 54 43 2 15 18 3 5 16 45 41 35 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W Tc W W W W W W O W O W O O W W W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">577</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.72 4.71 4.43 4.40 4.09 4.06 2.30 1.75 1.73 1.72 1.69 1.58 1.54 1.51 1.49 1.32 1.32 1.23 1.21 1.14 1.11 1.10 1.09 1.06 1.05 1.05 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz D:yz D:yz D:yz D:yz P:y P:y P:z P:z D:z2 P:z D:z2 P:z D:xz P:z P:z D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">9 19 13 8 10 20 103 7 12 10 20 9 19 8 13 95 51 59 83 13 51 8 95 12 99 77 7 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W Tc W W W W W W W W O O O O W O W O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.341</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">578</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">13.96 13.91 5.98 5.68 5.68 2.83 1.26 1.12 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">D:z2 D:z2 D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">1 14 103 1 14 100 15 2 5 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">W W Tc W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.248</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">579</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">52.54 8.80 2.05 1.94 1.52 1.36 1.30 1.27 1.24 1.21 1.14 1.13 1.10 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:xy P:y D:xy D:xy D:z2 D:z2 P:x P:x D:yz P:z P:x P:x D:x2-y2 P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">103 39 12 7 9 19 50 48 103 82 55 92 9 57 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc O W W W W O O Tc O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.244</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">580</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">15.48 13.34 11.84 4.24 4.23 2.21 2.20 2.14 1.36 1.35 1.27 1.27 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:xz D:x2-y2 D:x2-y2 P:z P:x D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 1.33 1.33 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">103 103 102 39 21 102 6 11 6 11 20 10 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc Tc O O Tc W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">581</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">14.96 10.66 5.32 4.09 3.78 3.77 3.55 2.01 1.85 1.40 1.40 1.28 1.27 1.16 1.15 1.13 1.12 1.12 1.10 1.09 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:xz P:z D:x2-y2 D:z2 D:z2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:x D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -6.750 -4.411 -4.411 -6.750 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.33 1.00 0.80 0.80 1.00 1.00 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">103 103 39 102 11 6 101 101 103 11 6 9 19 21 13 8 1 14 20 10 82 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc O Tc W W Tc Tc Tc W W W W O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.876</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">582</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">19.61 10.38 9.43 5.43 5.42 2.68 2.33 2.33 1.91 1.79 1.48 1.24 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:x2-y2 D:z2 P:x D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:xz P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -6.750 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.33 0.80 0.80 1.00 0.80 0.80 1.00 1.00 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">102 102 21 11 6 103 11 6 102 103 103 96 83 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc O W W Tc W W Tc Tc Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">583</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.70 10.59 4.84 4.81 3.31 3.30 2.87 2.86 2.12 2.11 2.11 2.10 1.83 1.82 1.81 1.80 1.65 1.64 1.62 1.59 1.50 1.48 1.43 1.42 1.26 1.26 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy P:x P:x D:z2 D:z2 D:z2 D:z2 P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y D:x2-y2 D:x2-y2 D:yz D:yz D:z2 D:z2 P:y P:y P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">6 11 63 58 7 12 10 20 88 78 7 12 8 13 50 55 10 20 8 13 13 8 84 89 48 92 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W O O W W W W O O W W W W O O W W W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.848</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">584</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">10.02 9.98 4.53 4.51 3.44 3.43 2.48 2.46 2.13 2.13 1.95 1.95 1.94 1.93 1.77 1.77 1.58 1.57 1.57 1.56 1.49 1.47 1.30 1.30 1.18 1.17 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xy P:x P:x D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:y P:y D:yz D:x2-y2 D:yz D:x2-y2 D:z2 D:z2 P:y P:y P:y P:y D:yz D:xz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">14 1 70 47 2 15 5 18 18 5 3 16 69 44 31 64 4 15 17 2 17 4 42 68 71 49 3 15 16 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O W W W W W W W W O O O O W W W W W W O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">585</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.13 5.06 2.88 2.54 2.52 2.33 2.33 2.33 2.32 1.90 1.89 1.38 1.38 1.37 1.32 1.32 1.26 1.26 1.18 1.17 1.12 1.10 1.06 1.06 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:yz P:z P:z D:yz D:yz D:z2 D:z2 D:xy D:xy D:xy D:yz D:xy D:xy D:xy D:z2 D:z2 P:y P:y D:xz D:xz D:x2-y2 D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">6 11 101 63 58 1 14 10 20 17 4 18 100 5 2 15 12 7 84 89 17 4 10 20 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Tc O O W W W W W W W Tc W W W W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">586</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.32 4.26 3.29 2.93 2.93 2.17 2.16 2.15 2.13 1.99 1.99 1.59 1.58 1.57 1.52 1.52 1.34 1.34 1.28 1.25 1.17 1.17 1.09 1.08 1.07 1.07 1.03 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz D:yz D:yz D:yz D:xy D:xy P:z P:z D:z2 D:z2 D:xy D:xy D:yz D:xy D:xy P:z P:z D:xz D:xz D:z2 D:z2 D:z2 D:z2 D:xz D:xz P:y P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">6 11 101 1 14 17 4 63 58 20 10 18 5 100 2 15 47 70 17 4 12 7 18 5 5 18 84 89 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Tc W W W W O O W W W W Tc W W O O W W W W W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.826</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">587</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.33 4.01 4.01 3.37 3.36 2.87 2.86 2.53 2.51 2.45 2.44 2.22 2.21 2.14 2.09 2.00 1.98 1.98 1.98 1.93 1.92 1.92 1.16 1.15 1.14 1.12 1.11 1.11 1.11 1.11 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:yz D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:z P:z D:yz D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:yz D:yz P:y P:y D:xy D:xy D:xy P:y P:y D:xy D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.00 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 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">101 14 1 2 15 2 15 5 18 3 16 70 47 3 16 100 17 5 18 4 4 17 69 44 2 15 18 64 31 5 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc W W W W W W W W W W O O W W Tc W W W W W W O O W W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.779</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">588</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.62 6.67 6.67 4.97 4.93 2.87 2.78 2.77 2.74 2.74 2.51 2.51 2.25 2.15 2.11 1.90 1.85 1.37 1.36 1.29 1.27 1.26 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xy D:xy D:xy D:xy P:x D:xz D:xz P:x D:z2 D:z2 D:z2 P:x D:xz D:xz D:z2 D:z2 P:x P:x D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.00 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">100 3 16 4 17 30 4 17 37 100 4 17 22 16 3 16 3 33 66 16 3 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W W W O W W O Tc W W O W W W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">589</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">9.04 4.61 4.38 4.35 4.18 4.12 2.03 2.02 1.99 1.94 1.81 1.80 1.79 1.79 1.69 1.67 1.31 1.29 1.28 1.27 1.26 1.23 1.15 1.14 1.14 1.12 1.10 1.10 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz D:xy D:xy D:xy D:xy D:z2 D:z2 D:xy D:xy P:y P:y D:xz D:xz P:y P:y D:x2-y2 D:x2-y2 D:xz D:xz D:yz D:yz P:z D:xz P:z D:xz D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 103 7 12 20 10 19 9 9 19 75 91 9 19 74 76 10 20 7 12 9 19 59 13 83 8 7 12 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc W W W W W W W W O O W W O O W W W W W W O W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">590</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.46 4.44 4.10 4.07 1.90 1.90 1.88 1.83 1.82 1.80 1.77 1.74 1.67 1.65 1.63 1.63 1.57 1.56 1.39 1.38 1.37 1.37 1.37 1.36 1.21 1.19 1.17 1.16 1.07 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xy D:xy D:xy D:xy D:xy D:xy P:x P:x P:x P:x D:z2 D:z2 D:xz D:xz D:xy D:xy D:yz D:yz D:z2 D:xz D:z2 D:yz D:xz D:yz D:yz D:yz D:yz D:yz D:xz D:xz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">8 13 9 19 20 10 86 73 85 93 7 12 19 9 12 7 8 13 10 10 20 20 20 10 12 7 9 19 13 8 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W O O O O W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">591</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.02 4.00 3.88 3.64 3.56 3.54 3.38 3.33 3.30 3.27 3.07 2.89 2.87 2.01 2.00 1.82 1.81 1.49 1.48 1.15 1.15 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xz P:x P:x D:z2 D:z2 D:xy D:xy D:xz D:xz D:x2-y2 D:xy D:xy D:yz D:yz D:z2 D:z2 D:yz D:yz P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">2 15 28 26 5 18 15 2 5 18 100 18 5 15 2 2 15 18 5 65 32 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W O O W W W W W W Tc W W W W W W W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.537</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">592</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">12.30 12.24 4.86 4.85 3.61 3.58 3.46 3.45 2.81 2.27 2.25 1.61 1.59</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:xy D:xy P:x P:x D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">6 11 58 63 20 10 12 7 103 20 10 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">W W O O W W W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">593</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.73 4.66 3.35 3.29 2.92 2.86 2.70 2.67 2.61 2.55 2.44 2.41 2.29 2.27 2.23 2.18 2.13 2.11 2.09 2.08 1.98 1.93 1.77 1.73 1.57 1.53 1.26 1.23 1.14 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:xy D:xy D:yz D:yz P:y P:y D:xy D:xy D:x2-y2 D:x2-y2 D:z2 P:y P:y D:z2 D:z2 D:z2 P:y P:y D:x2-y2 D:x2-y2 P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">12 7 20 10 8 13 8 13 9 19 88 78 9 19 12 7 19 48 92 9 13 8 50 55 20 10 84 89 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W O O W W W W W O O W W W O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">594</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">14.76 14.70 5.63 5.63 1.56 1.55 1.54 1.50 1.48 1.46 1.41 1.38 1.35 1.24 1.12 1.10 1.08 1.08 1.07 1.07 1.06 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy P:x P:x D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 P:z D:yz P:z D:yz D:xy D:xy D:xz D:yz D:xz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -10.027 -4.411 4.727 4.727 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 0.80 1.33 0.80 0.00 0.00 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">1 14 47 70 2 2 15 15 18 5 5 18 100 26 4 28 16 1 14 18 17 5 3 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O W W W W W W W W Tc O W O W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">595</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.08 4.02 3.79 3.78 2.87 2.86 2.80 2.75 2.71 2.68 2.46 2.41 2.26 2.24 2.19 2.18 2.17 2.11 2.04 2.04 2.00 1.99 1.65 1.62 1.59 1.54 1.37 1.36</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:yz D:xy D:xy P:y P:y D:xy D:xy D:z2 P:y P:y D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">5 18 2 15 17 4 3 16 17 4 68 42 16 3 17 31 64 4 16 5 18 3 15 2 49 71 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O O W W W O O W W W W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">596</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">9.95 9.88 6.20 6.18 4.28 4.28 2.71 2.71 1.24 1.19 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:yz D:yz D:yz D:yz P:z P:z P:z P:z D:z2 D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">6 11 1 14 63 58 47 70 11 6 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">W W W W O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">597</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">9.74 9.64 6.34 6.25 4.21 4.20 2.70 2.70 1.40 1.37 1.18 1.15 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:yz D:yz D:yz D:yz P:z P:z P:z P:z D:z2 D:z2 D:z2 D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">1 14 6 11 47 70 63 58 14 1 15 2 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">W W W W O O O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">598</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.21 5.17 4.46 4.45 4.40 4.35 4.15 4.14 2.78 2.78 1.88 1.87 1.53 1.52 1.49 1.49 1.33 1.33 1.26 1.26 1.26 1.26 1.22 1.19 1.11 1.09 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z D:yz D:yz P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">20 10 19 9 12 7 8 13 9 19 8 13 48 92 92 48 84 89 78 50 88 55 9 19 88 78 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.369</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">599</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.16 5.12 4.99 4.94 4.47 4.43 3.98 3.93 2.31 2.30 2.02 2.01 1.40 1.38 1.38 1.37 1.36 1.35 1.35 1.34 1.26 1.25 1.19 1.19 1.13 1.10 1.09 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y D:xy D:xy D:yz D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">2 15 5 18 16 3 17 4 3 16 4 17 44 69 64 49 31 71 31 64 68 42 68 42 5 18 3 16 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W O O O O O O O O O O O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">600</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.16 8.01 4.88 4.20 4.19 3.33 1.87 1.86 1.57 1.57 1.57 1.54 1.28 1.25 1.15 1.12 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:x D:z2 D:z2 P:x D:xy P:x D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">100 100 103 6 11 22 10 20 63 16 58 3 19 9 13 8 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc W W O W W O W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.291</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">601</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.79 3.68 3.37 2.82 2.80 2.68 1.94 1.94 1.94 1.85 1.82 1.81 1.73 1.70 1.51 1.24 1.22 1.17 1.16 1.12 1.08 1.06 1.04 1.04 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:z2 D:x2-y2 D:xy D:xy D:z2 D:xy D:z2 D:xy D:xy D:xy D:xy D:xy D:x2-y2 P:x D:xy P:x D:xy P:x D:z2 D:z2 D:z2 D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">5 18 100 100 2 15 20 3 10 16 11 6 14 1 103 49 4 71 17 22 4 13 8 3 17 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Tc Tc W W W W W W W W W W Tc O W O W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.267</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">602</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.20 2.98 2.92 2.65 2.58 2.53 2.15 2.11 2.11 1.98 1.97 1.94 1.82 1.79 1.51 1.28 1.28 1.27 1.26 1.26 1.17 1.16 1.16 1.14 1.13 1.12 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:z2 D:z2 D:xy P:x D:z2 D:xz D:xy D:z2 D:z2 D:xz D:xy D:xy P:x P:x P:x P:x D:xy D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:z2 P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.00 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 100 5 2 44 2 2 14 15 18 5 5 1 49 36 69 22 15 11 6 10 3 20 13 8 41 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc W W O W W W W W W W W O O O O W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.264</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">603</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.54 4.43 4.42 4.31 4.19 3.93 3.32 3.26 3.13 2.99 2.90 2.81 2.61 2.40 2.33 2.28 1.95 1.92 1.88 1.80 1.63 1.55 1.45 1.44 1.39 1.22 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz P:x D:xz D:xy D:xz P:x D:x2-y2 P:x D:xz D:x2-y2 D:xy D:xy P:x D:yz D:x2-y2 P:x D:z2 P:x D:x2-y2 D:xy P:x D:xy P:x D:xy D:yz P:x D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.00 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">18 71 15 15 5 69 18 49 2 5 2 18 44 101 15 45 18 98 2 5 41 3 60 16 100 36 15 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W O W W W O W O W W W W O Tc W O W O W W O W O W Tc O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">604</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.05 8.75 5.72 5.41 3.67 2.96 2.59 2.52 2.35 1.91 1.84 1.73 1.63 1.52 1.50 1.50 1.37 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xy D:z2 D:xy D:xy D:xy D:yz P:x P:x D:x2-y2 D:yz D:xy D:xy P:x P:y D:yz D:xy D:xy D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.00 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">20 103 12 10 13 20 84 73 103 8 19 7 50 82 10 8 9 13 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W Tc W W W W O O Tc W W W O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.225</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">605</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.24 5.17 4.98 4.90 4.68 3.03 2.90 2.53 2.42 2.27 2.21 2.21 2.07 1.97 1.96 1.92 1.92 1.55 1.50 1.50 1.45 1.26 1.23 1.20 1.17 1.15 1.13 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xz D:xy D:xz D:xy P:x P:x D:x2-y2 D:xy D:x2-y2 D:xz D:yz P:x D:x2-y2 P:x D:xz D:yz D:x2-y2 D:yz P:x D:x2-y2 P:x D:x2-y2 P:x D:z2 D:xy D:x2-y2 D:yz P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.00 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">10 7 20 10 89 55 10 8 20 7 102 84 19 59 12 19 7 10 57 12 50 9 91 20 103 13 7 83 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W O O W W W W Tc O W O W W W W O W O W O W Tc W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">606</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.07 4.05 3.79 3.78 3.40 3.37 2.59 2.58 2.46 2.44 2.22 2.21 1.99 1.98 1.91 1.90 1.77 1.76 1.73 1.72 1.69 1.68 1.62 1.62 1.61 1.61 1.21 1.21 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x D:z2 D:z2 D:yz D:yz P:x P:x D:yz D:yz D:xy D:xy P:x P:x D:xy D:xy D:xy D:xy P:x P:x D:xy D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">16 3 3 16 17 4 64 31 4 17 17 4 68 42 16 3 15 2 97 35 18 5 17 4 54 43 3 16 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W O O W W W W O O W W W W O O W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.086</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">607</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.79 5.78 4.57 4.55 4.38 4.37 4.12 4.10 3.21 3.21 2.60 2.60 2.47 2.47 2.01 2.00 2.00 1.99 1.97 1.97 1.34 1.34 1.33 1.33 1.31 1.30 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:x P:x D:yz D:yz P:x P:x D:xz D:xz P:x P:x P:x P:x D:yz D:xz D:xz D:yz D:z2 D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">16 3 4 17 17 4 3 16 31 64 16 3 42 68 3 16 43 54 35 97 17 17 4 4 18 5 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W O O W W O O W W O O O O W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.024</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">608</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.33 4.88 4.83 4.77 4.71 3.06 3.04 2.61 2.60 2.48 2.46 2.37 2.36 2.20 2.15 1.87 1.87 1.61 1.59 1.55 1.55 1.51 1.51 1.29 1.28 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 P:x P:x D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:yz P:x P:x D:xz D:xz P:x P:x P:x P:x P:z P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">103 13 8 8 13 9 19 78 88 19 9 20 10 13 8 81 56 19 9 48 92 51 95 78 88 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc W W W W W W O O W W W W W W O O W W 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">-1.009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">609</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.11 3.09 3.03 3.02 2.92 2.89 2.81 2.78 2.38 2.38 2.29 2.28 1.83 1.81 1.63 1.61 1.39 1.29 1.19 1.19 1.13 1.13 1.08 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy D:yz D:yz D:yz D:yz P:z P:z D:z2 D:z2 P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 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 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">5 18 15 2 5 18 2 15 3 16 4 17 18 5 15 2 26 28 17 4 25 60 28 26 27 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W W W W O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">610</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.80 4.78 3.84 3.83 3.32 3.28 2.86 2.86 1.86 1.61 1.59 1.51 1.11 1.11 1.10 1.10 1.09 1.08 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy D:xy D:xy D:yz D:yz D:z2 D:z2 D:xz D:z2 D:z2 P:x P:y P:y D:xy D:xy D:x2-y2 D:x2-y2 D:yz P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">8 13 20 10 8 13 7 12 103 9 19 86 74 76 12 7 8 13 20 85 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W Tc W W O O O W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.962</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">611</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.74 4.71 4.18 4.18 3.14 3.13 3.00 2.98 2.92 2.28 2.26 1.75 1.75 1.62 1.61 1.61 1.60 1.59 1.59 1.58 1.34 1.33 1.19 1.18 1.17 1.14 1.14 1.12 1.12 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy D:xz D:z2 D:z2 P:x P:x D:xz D:z2 D:xz D:yz P:x P:x D:yz D:x2-y2 D:x2-y2 D:yz D:yz P:x P:y P:y P:x D:xz D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">8 13 12 7 13 8 9 19 103 10 20 78 88 10 103 20 9 81 56 19 19 9 12 7 93 82 57 85 8 13 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W Tc W W O O W Tc W W O O W W W W W O O O O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.901</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">612</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.72 7.72 2.92 2.90 2.54 2.52 2.27 2.25 2.10 2.09 2.04 2.02 1.67 1.66 1.12 1.11 1.11 1.10 1.06 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 P:x P:x P:x P:x P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 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 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">1 14 1 14 18 5 15 2 3 16 4 17 11 6 29 65 62 32 66 33 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W 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">-0.895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">613</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.80 7.79 2.88 2.87 2.80 2.78 2.23 2.23 2.12 2.09 1.97 1.95 1.67 1.66 1.13 1.13 1.12 1.12 1.07 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 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 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">11 6 11 6 9 19 7 12 20 10 8 13 1 14 79 24 99 77 53 80 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">614</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">13.63 3.45 3.04 3.01 2.86 2.85 2.77 2.75 2.70 2.69 2.43 2.42 2.40 2.39 2.37 2.36 2.17 2.17 1.89 1.88 1.70 1.69 1.68 1.66 1.33 1.33 1.27 1.27 1.23 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz D:z2 D:z2 D:xy D:xy D:xy D:xy D:xz D:xz P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:x P:x D:z2 D:z2 D:z2 D:z2 P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">101 100 15 2 17 4 16 3 15 2 97 35 5 18 2 15 60 25 44 69 18 5 16 3 61 27 43 54 45 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc W W W W W W W W O O W W W W O O O O W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.781</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">615</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">13.82 4.05 4.04 3.16 3.15 2.83 2.82 2.57 2.52 2.33 2.32 2.21 2.20 2.17 2.16 2.14 2.14 2.03 2.03 1.65 1.65 1.49 1.48 1.30 1.29 1.28 1.27 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:xz D:xy D:yz P:x P:x D:x2-y2 D:x2-y2 D:xy D:xy P:z P:z P:y P:y D:xy D:xy D:z2 D:z2 P:x P:x P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">102 12 7 12 7 12 7 103 103 50 55 20 10 19 9 75 91 81 56 13 8 13 8 57 82 59 83 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc W W W W W W Tc Tc O O W W W W O O O O W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">616</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">15.00 9.47 7.95 4.93 1.94 1.52 1.36 1.33 1.31 1.15 1.08 1.07 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:x2-y2 P:x D:xz D:x2-y2 D:z2 D:x2-y2 D:yz D:yz D:x2-y2 D:z2 S P:x D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -10.027 -6.750 -6.750 -6.750 -6.750 -4.411 -4.411 -6.750 -6.750 -15.731 -0.512 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.33 1.00 1.00 1.00 1.00 0.80 0.80 1.00 1.00 2.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">103 39 103 101 101 100 12 7 102 100 105 103 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc O Tc Tc Tc Tc W W Tc Tc P Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.684</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">617</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.81 3.80 3.57 3.55 3.37 3.36 2.68 2.66 2.51 2.49 2.25 2.23 1.97 1.97 1.78 1.63 1.63 1.57 1.56 1.55 1.54 1.10 1.10 1.05 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:yz D:yz D:yz D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:xy D:z2 D:xy D:xy D:yz D:yz D:yz D:yz P:y P:y P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">4 17 14 1 3 16 2 15 1 14 5 18 17 4 100 16 3 18 15 5 2 47 70 27 61 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W W Tc W W W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.600</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">618</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.15 4.54 4.52 3.37 3.35 3.20 3.19 2.74 2.55 2.51 1.66 1.64 1.46 1.30 1.29 1.28 1.27 1.24 1.24 1.23 1.20 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:z2 D:yz D:yz D:yz D:yz D:xz D:yz D:yz D:z2 D:z2 P:z D:xz D:z2 D:xz D:z2 P:x P:y P:y P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">103 7 12 11 6 9 19 103 8 13 10 20 85 10 13 20 8 39 51 95 86 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W W W W W Tc W W W W O W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">619</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">2.44 2.43 2.40 2.39 2.29 2.27 1.96 1.95 1.71 1.71 1.64 1.64 1.61 1.60 1.46 1.46 1.42 1.41 1.41 1.41 1.26 1.26 1.14 1.14 1.09 1.08 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:z2 D:z2 D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">2 15 17 4 5 18 17 4 5 18 3 16 15 2 9 19 9 8 13 19 7 12 20 10 20 10 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.507</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">620</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.65 2.63 2.18 2.17 1.88 1.88 1.83 1.83 1.78 1.78 1.71 1.67 1.67 1.58 1.57 1.46 1.45 1.40 1.38 1.37 1.36 1.25 1.24 1.21 1.21 1.10 1.09 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">9 19 9 19 17 4 12 7 3 16 103 8 13 20 10 20 10 8 13 17 4 16 3 2 15 5 18 15 2 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W Tc W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">621</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">15.80 15.77 4.28 4.27 2.00 1.98 1.98 1.97 1.67 1.64 1.53 1.48 1.46 1.42 1.42</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 2 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:xy D:xy P:x P:x P:y P:y D:xy D:xy D:x2-y2 D:x2-y2 D:yz P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 0.80 0.80 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">1 14 47 70 62 29 1 14 2 15 100 32 65 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">W W O O O O W W W W Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.459</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">622</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">16.86 16.81 4.56 4.55 2.11 2.10 1.71 1.70 1.68 1.68 1.44 1.43 1.14 1.12 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xy D:xy P:x P:x D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y P:y P:y D:yz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 4.727 4.727 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 1.33 1.33 0.00 0.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">11 6 58 63 11 6 7 12 99 77 94 87 8 13 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W O O W W W W O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">623</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">15.35 15.32 4.35 4.33 1.96 1.90 1.89 1.89 1.66 1.64 1.54 1.53 1.53 1.51 1.12 1.11 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz P:z P:z D:z2 D:yz D:yz D:z2 P:y P:y D:z2 D:z2 P:y P:y D:xy D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 4.727 4.727 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 0.80 0.00 0.00 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 11 63 58 10 6 11 20 79 24 7 12 53 80 19 9 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O O W W W W O O W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">624</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">14.76 14.71 4.20 4.17 2.16 2.15 1.82 1.81 1.79 1.78 1.67 1.67 1.34 1.31 1.10 1.10 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz P:z P:z D:z2 D:z2 D:yz D:yz P:y P:y P:y P:y D:z2 D:z2 D:xy D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.00 1.33 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="18">1 14 47 70 5 18 1 14 66 33 34 67 15 2 4 17 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O O W W W W O O O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">625</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.71 4.70 3.10 3.07 3.00 2.95 2.54 2.06 1.97 1.96 1.91 1.91 1.88 1.87 1.85 1.83 1.75 1.71 1.50 1.50 1.49 1.48 1.40 1.39 1.36 1.35 1.34 1.33 1.10 1.09 1.06 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 P:z D:x2-y2 P:z D:z2 D:z2 D:yz D:yz P:y P:y P:y P:y D:x2-y2 D:x2-y2 P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">10 20 13 8 7 12 73 93 10 20 7 85 12 86 19 9 9 19 78 88 48 92 19 9 84 89 80 53 13 8 13 8 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W O O W W W O W O W W W W O O O O W W O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">626</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">4.67 4.66 3.13 3.10 2.66 2.64 2.41 2.23 2.22 2.10 2.06 2.06 1.94 1.80 1.79 1.74 1.48 1.48 1.38 1.37 1.27 1.26 1.20 1.20 1.18 1.18 1.18 1.15 1.12 1.11 1.10 1.08 1.08 1.05 1.05 1.05 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:z D:x2-y2 D:x2-y2 P:z D:z2 D:z2 P:z D:x2-y2 D:x2-y2 P:z P:y P:y P:y P:y P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:yz D:yz P:y P:y P:y P:y D:yz D:xz D:yz D:xz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 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="38">2 15 18 5 16 3 28 18 5 26 4 17 30 15 2 37 31 64 42 68 69 44 32 65 4 17 3 16 71 49 67 34 4 18 17 5 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W W O W W O W W O W W O O O O O O O O O W W W W O O O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">627</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.27 3.26 2.39 2.39 2.26 2.25 2.03 2.02 1.98 1.98 1.93 1.93 1.68 1.67 1.18 1.17 1.16 1.16 1.15 1.15 1.03 1.02 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 D:x2-y2 D:yz D:xz D:yz D:xz P:x P:x P:y P:y D:z2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">15 2 16 3 15 2 5 18 17 4 60 25 5 18 3 16 16 3 69 44 31 64 5 18 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W O O W W W W W W O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.329</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">628</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.34 2.32 2.28 2.27 2.18 2.17 1.91 1.91 1.79 1.79 1.74 1.73 1.70 1.69 1.37 1.36 1.28 1.28 1.21 1.20 1.07 1.07 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz P:z P:z D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 D:z2 D:z2 D:xz D:xz P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">19 9 7 12 13 8 12 7 75 91 5 18 20 10 10 20 7 12 5 18 55 50 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W O O W W W W W W W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">629</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">13.79 5.95 3.06 2.98 2.64 2.62 2.52 2.51 1.65 1.62 1.50 1.50 1.49 1.48 1.47 1.45 1.42 1.42 1.40 1.39 1.03 1.03 1.02 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:z2 D:z2 D:xz D:xz D:x2-y2 D:x2-y2 P:x P:x P:y P:z P:y P:x P:z P:x D:xy D:z2 D:xy D:z2 D:xz P:z P:z D:xz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">101 100 4 17 18 5 4 17 43 54 41 27 45 42 61 68 5 3 18 16 3 45 41 16 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc Tc W W W W W W O O O O O O O O W W W W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.235</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">630</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.97 5.97 5.89 5.85 2.62 2.60 2.09 2.09 1.96 1.93 1.57 1.55 1.53 1.37 1.36 1.30 1.19 1.18 1.06 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy D:yz D:yz D:z2 D:z2 P:z D:xz D:xz P:z P:x P:x D:x2-y2 D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">13 8 11 6 19 9 12 7 20 10 7 12 86 20 10 93 58 63 10 20 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W O W W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">631</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.82 5.81 5.32 5.31 2.88 2.87 1.58 1.43 1.42 1.39 1.20 1.18 1.14 1.13 1.10 1.09 1.07 1.07 1.06 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 P:z D:yz D:yz P:z D:z2 D:z2 D:xy D:xy D:xz D:xz P:x P:x P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">3 16 1 14 4 17 37 18 5 30 19 9 15 2 18 5 47 70 42 68 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W O W W O W W W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.207</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">632</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.49 7.46 2.86 2.85 1.75 1.74 1.64 1.63 1.58 1.56 1.55 1.54 1.38 1.36 1.35 1.34 1.31 1.21 1.17 1.17 1.15 1.15 1.15 1.07 1.07 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:x P:x D:xy D:xy D:xy D:xy P:x P:x D:z2 D:x2-y2 D:z2 S D:xz D:xz D:yz D:yz D:z2 D:yz D:yz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -6.750 -4.411 -5.732 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.00 0.80 2.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">17 4 16 3 61 27 54 43 1 14 18 5 68 42 19 100 9 100 15 2 3 16 100 2 15 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W O O O O W W W W O O W Tc W Tc W W W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">633</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.25 5.14 4.98 4.91 4.35 4.30 3.53 3.49 3.06 3.06 2.59 2.42 2.40 2.37 2.35 2.18 2.16 1.87 1.84 1.75 1.75 1.72 1.72 1.35 1.34 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 D:x2-y2 D:xy P:x P:x P:x P:x D:xz D:xz D:yz D:yz P:x P:x P:x P:x D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">9 19 8 13 19 9 74 76 13 8 103 51 95 48 92 9 19 19 9 56 81 88 78 13 8 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O W W Tc O O O O W W W W O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.146</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">634</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.47 7.72 4.31 4.30 3.69 3.68 2.82 2.82 2.54 2.54 2.19 2.18 2.09 2.08 1.67 1.66 1.37 1.37 1.08 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:x P:x D:x2-y2 D:x2-y2 P:x P:x D:xz D:xz D:xz D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">101 100 16 3 4 17 16 3 27 61 97 35 17 4 64 31 5 18 4 17 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc W W W W W W O O O O W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.098</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">635</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.93 6.88 5.76 3.63 3.12 2.53 2.53 1.83 1.83 1.69 1.67 1.59 1.58 1.57 1.56 1.38 1.12 1.11 1.11 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 D:x2-y2 D:z2 P:x P:x P:x D:x2-y2 D:x2-y2 P:z P:z P:x P:x D:z2 D:z2 D:x2-y2 S D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -5.732 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.00 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 2.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">9 19 103 103 39 51 95 8 13 74 76 48 92 16 3 101 103 9 19 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W Tc Tc O O O W W O O O O W W Tc Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.057</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">636</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">25.83 8.70 4.29 4.28 2.50 2.47 2.14 2.14 2.12 2.11 1.50 1.49 1.46 1.45 1.31 1.30 1.30 1.29 1.26 1.25 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:yz D:yz D:xz D:xz P:y P:y D:xy P:z P:z D:xy P:y P:y D:z2 D:z2 D:x2-y2 P:z P:z D:x2-y2 P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">102 103 20 10 59 83 10 83 59 20 81 56 7 12 7 91 75 12 89 84 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc W W O O W O O W O O W W W O O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.020</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">637</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">6.41 6.41 2.11 2.10 1.96 1.95 1.89 1.88 1.79 1.79 1.70 1.69 1.63 1.62 1.61 1.60 1.59 1.55 1.54 1.53 1.53 1.52 1.40 1.38 1.30 1.28 1.21 1.18 1.13 1.12 1.08 1.08 1.06 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">D:yz D:yz D:xz D:xz D:xz D:xz D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:z D:z2 P:z D:z2 D:xy D:xy D:yz D:yz D:yz D:yz P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.80 0.80 0.80 0.80 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 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">1 14 2 15 5 18 16 3 17 4 17 4 16 3 15 2 37 1 30 14 18 5 4 17 3 16 26 28 32 65 34 67 66 33 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W W W W W W W W W W W W W O W O W W W W W W W 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">0.068</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">638</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">5.26 5.21 2.51 2.49 2.21 2.19 2.15 1.92 1.89 1.71 1.68 1.64 1.63 1.63 1.53 1.51 1.42 1.41 1.39 1.39 1.38 1.30 1.30 1.29 1.29 1.28 1.28 1.20 1.09 1.07 1.07 1.07 1.05 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">D:yz D:yz D:xz D:xz D:xz D:xz D:z2 D:yz D:yz D:z2 D:z2 D:x2-y2 P:z D:x2-y2 D:xy D:xy D:z2 P:x D:x2-y2 D:x2-y2 D:z2 D:yz D:xy D:x2-y2 D:xy D:x2-y2 D:yz P:z D:z2 P:x P:x D:z2 P:x P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">11 6 7 12 10 20 103 9 19 19 9 19 93 9 12 7 6 85 7 12 11 8 20 13 10 8 13 86 13 87 94 8 73 80 53 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W W W Tc W W W W W O W W W W O W W W W W W W W W O W O O W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.230</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">639</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">27.30 4.37 4.34 2.83 2.82 2.55 2.54 1.71 1.69 1.38 1.37 1.37 1.37 1.20 1.20 1.15 1.14 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:xz D:xz D:xy D:xy P:y P:y P:z P:z D:xz P:z D:xz P:z P:y P:y P:x P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">100 15 2 2 15 36 98 98 36 4 60 17 25 54 43 69 44 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc W W W W O O O O W O W O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">640</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">35.17 3.57 3.56 2.69 2.67 2.20 2.17 1.61 1.59 1.45 1.44 1.18 1.17 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:yz D:xz D:xz P:y P:y D:xy D:xy P:z P:z D:z2 D:z2 D:xz D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">103 12 7 57 82 7 12 82 57 19 9 9 19 51 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc W W O O W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">641</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">10.05 6.02 5.89 4.84 4.76 4.76 4.00 4.00 3.42 3.42 3.11 3.10 2.62 2.61 2.25 2.25 -2.10 1.82 1.80 1.75 1.75 -1.66 1.58 -1.57 1.57 1.41 1.41 1.34 1.34 1.33 1.27 1.27 1.21 1.21 -1.13 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 3 2 2 2 3 3 2 2 1 3 3 3 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">S S S S S S S S S S S S S S S 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="37"
                               units="nonsi:electronvolt">1.164 1.164 1.164 1.164 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 3.851 -5.732 3.073 1.722 1.722 3.851 -6.402 -5.732 -6.402 1.722 1.722 -6.402 -6.402 -6.581 1.722 1.722 1.722 1.722 -15.731 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 1.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">102 100 101 103 9 19 16 3 12 7 18 5 8 13 6 11 105 102 107 14 1 104 9 103 19 10 20 16 3 107 2 15 17 4 105 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">Tc Tc Tc Tc W W W W W W W W W W W W P Tc H W W P W Tc W W W W W H W W W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">642</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">18.61 18.15 6.47 5.49 3.87 3.18 3.17 3.03 -2.62 2.55 2.49 2.49 -2.37 2.33 2.32 2.20 2.20 2.13 2.10 2.10 1.62 1.62 -1.56 -1.42 1.31 1.31 1.23 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 2 2 2 3 3 1 3 2 3 3 2 3 3 3 3 1 3 3 3 3 3 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S S S S S S S S S S S S S S S S P:x S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.164 1.164 -5.732 -5.732 3.073 1.722 1.722 -6.581 1.164 3.073 1.722 1.722 -5.732 1.722 1.722 1.722 1.722 -6.581 1.722 1.722 1.722 1.722 3.851 2.733 1.722 1.722 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 102 102 100 107 8 13 107 101 106 15 2 101 17 4 14 1 106 16 3 18 5 104 105 6 11 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc Tc Tc H W W H Tc H W W Tc W W W W H W W W W P P W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.715</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">643</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">19.74 13.20 9.37 7.18 7.15 5.95 5.56 4.95 4.33 3.80 -3.63 3.08 -2.97 2.37 2.37 -2.04 2.03 2.03 1.81 -1.61 1.53 1.53 1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 2 3 2 3 2 1 2 1 3 2 3 3 3 2 3 3 2 2 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S P:x S P:x S S P:x S S S P:x S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.164 1.164 -5.732 1.164 -5.732 1.164 3.073 -6.581 3.073 -6.581 2.733 -5.732 2.733 1.722 1.722 -0.512 1.722 1.722 -5.732 -0.512 1.722 1.722 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 2.00 0.00 2.00 0.00 0.00 1.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">100 102 100 101 102 103 106 106 107 107 104 101 105 19 9 100 16 3 103 102 12 7 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc Tc Tc Tc Tc H H H H P Tc P W W Tc W W Tc Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">644</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.62 4.38 2.47 2.43 2.14 1.95 1.90 1.76 1.75 1.75 1.74 1.74 1.69 1.69 1.64 1.64 1.53 1.48 1.31 1.26 1.26 1.22 1.22 1.20 -1.15 1.10 1.10 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 3 2 2 2 1 2 1 2 1 1 1 1 1 1 1 2 1 3 1 1 1 1 3 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S D:z2 S D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S S S D:xy D:xy D:xy D:xy S P:x D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.164 1.164 -5.732 -5.732 3.073 -6.581 -15.731 -4.411 -15.731 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 3.073 -6.581 3.851 -4.411 -4.411 -4.411 -4.411 3.851 -0.512 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 2.00 2.00 0.00 1.00 2.00 0.80 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">100 102 102 100 106 106 104 14 105 1 6 11 14 1 6 11 107 107 104 3 16 9 19 105 100 16 3 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc Tc Tc Tc H H P W P W W W W W W W H H P W W W W P Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">645</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">2.27 2.26 2.15 2.03 2.03 2.03 2.03 1.84 1.83 1.82 1.80 1.79 1.74 1.71 1.70 1.54 1.33 1.23 1.23 1.18 1.09 1.09 1.08 1.08 1.05 1.05 1.01 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 3 1 1 3 3 1 1 3 1 1 2 1 1 2 3 1 1 3 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S D:z2 D:z2 S S D:x2-y2 D:x2-y2 S D:z2 D:z2 S D:x2-y2 D:x2-y2 S S D:xy D:xy S D:xy D:xy D:xy D:xy D:yz D:yz D:xy D:xy D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.722 1.722 1.164 -4.411 -4.411 1.722 1.722 -4.411 -4.411 1.164 -4.411 -4.411 -15.731 -4.411 -4.411 -15.731 3.851 -4.411 -4.411 3.851 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.00 0.80 0.80 2.00 0.80 0.80 2.00 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">12 7 101 6 11 5 18 6 11 103 14 1 105 14 1 104 105 19 9 104 13 8 16 3 19 9 17 4 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Tc W W W W W W Tc W W P W W P P W W P W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.951</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">646</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.02 7.02 3.53 3.51 3.31 3.29 2.84 2.79 2.35 2.34 2.33 2.32 1.56 1.54 1.36 1.20 1.19 1.08 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:xy D:xy D:z2 D:z2 P:x D:xy D:xy D:xy D:xy D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 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 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 11 10 20 13 8 7 12 9 19 13 8 12 7 86 6 11 19 9 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">647</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.97 6.96 3.83 3.79 2.84 2.84 2.43 2.41 2.41 2.40 1.89 1.89 1.32 1.31 1.31 1.30 1.17 1.16 1.14 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:xy D:xy D:xy D:z2 D:xy D:z2 D:xy D:xy D:z2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">14 1 2 15 4 17 5 18 16 3 17 4 16 15 3 2 1 14 18 5 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">648</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">8.79 8.78 7.44 7.43 6.02 6.01 -5.99 5.54 5.54 4.85 4.85 -4.74 4.11 4.11 3.92 3.91 3.32 3.32 2.95 2.95 1.99 1.98 1.60 1.60 1.52 1.52 -1.41 -1.38 1.30 1.30 -1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 3 3 3 3 3 3 3 2 2 3 3 3 2 2 2 2 2 2 2 2 3 3 3 3 2 2 3 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S P:z S S S S P:z S S S S S S S S S S S S S S P:z P:z S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 1.722 1.722 2.733 1.722 1.722 -6.402 -6.402 2.733 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -0.512 -5.665 1.722 1.722 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">12 7 16 3 9 19 105 5 18 12 7 104 20 10 16 3 9 19 5 18 20 10 2 15 17 4 103 105 8 13 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W P W W W W P W W W W W W W W W W W W W W Tc P W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">649</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">6.12 6.05 4.20 4.12 3.88 3.74 3.68 3.23 3.18 3.18 3.15 3.14 3.12 3.06 3.02 2.88 2.49 2.49 2.47 2.35 2.32 2.27 -2.22 2.09 2.08 2.02 1.99 -1.96 1.93 1.91 1.65 -1.63 1.63 -1.48 1.22 1.19 -1.15 -1.11 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">3 3 3 3 2 3 3 3 3 3 3 3 3 2 2 1 1 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">S S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S S S S S P:x S S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -5.732 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.581 -6.581 3.073 -5.732 -6.402 -6.402 3.073 -0.512 -6.402 -6.402 -6.402 -6.402 1.164 -6.402 -6.402 -6.402 1.164 -6.402 -0.512 1.722 1.722 -5.732 -5.732 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 1.00 1.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">5 18 1 14 100 11 6 19 9 2 20 15 10 5 18 106 107 106 102 1 14 107 100 20 10 11 6 101 2 15 19 103 9 102 12 7 101 103 2 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">W W W W Tc W W W W W W W W W W H H H Tc W W H Tc W W W W Tc W W W Tc W Tc W W Tc Tc 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">650</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">8.42 8.24 8.23 8.18 -6.07 -6.00 4.77 4.63 4.62 4.60 4.36 4.30 4.28 4.25 3.86 3.85 3.83 3.77 2.72 2.70 2.61 2.57 2.51 2.48 2.47 2.46 1.97 1.97 1.97 -1.92 1.90 -1.86 1.63 1.63 1.60 1.59 1.07 1.05 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 2 3 3 3 3 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">S S S S P:y P:y S S S S S S S S S S S S S S S S S S S S S S S P:y S P:y S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 2.733 2.733 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 -5.665 1.722 -5.665 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">14 1 11 6 104 105 18 12 5 7 16 19 3 9 14 1 6 11 18 5 7 12 9 3 19 16 15 20 10 104 2 105 13 17 8 4 10 20 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">W W W W P P W W W W W W W W W W W W W W W W W W W W W W W P W P W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">651</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">10.96 10.96 10.82 10.80 -6.38 -6.29 6.09 6.08 6.00 5.99 3.72 3.69 3.60 3.59 3.17 3.14 3.05 3.03 2.27 2.25 2.15 2.14 -2.03 -2.00 1.88 1.86 1.82 1.81 1.38 1.38 1.29 1.28 1.10 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">3 3 3 3 3 3 2 2 2 2 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S P:y P:y S S S S S S S S S S S S S S S S P:y P:y S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 2.733 2.733 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.665 -5.665 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">6 11 14 1 105 104 6 11 14 1 10 20 2 15 13 8 17 4 10 20 2 15 105 104 13 8 17 4 5 18 7 12 19 9 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W P P W W W W W W W W W W W W W W W W P P W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.153</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">652</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">12.34 12.32 8.64 8.60 7.79 7.78 5.52 5.49 -4.54 -2.59 2.31 2.22 2.22 2.05 1.77 1.75 -1.75 1.66 1.63 1.62 1.61 -1.59 1.56 1.56 1.50 1.49 1.43 1.24 -1.23 1.23 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 3 3 2 2 2 2 3 3 1 3 3 2 3 3 2 2 3 3 3 2 3 3 3 3 2 3 2 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S P:z P:z S S S S S S P:z S S S S P:z S S S S S S P:z S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 2.733 2.733 -6.581 1.722 1.722 3.073 1.722 1.722 -0.512 -5.732 1.164 1.722 1.722 -0.512 1.722 1.722 1.722 1.722 -5.732 1.722 -5.665 1.722 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">4 17 20 10 4 17 20 10 104 105 106 3 16 106 8 13 100 101 103 15 2 102 18 5 9 19 103 1 104 14 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W P P H W W H W W Tc Tc Tc W W Tc W W W W Tc W P W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">653</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.17 8.16 6.73 6.72 5.63 5.62 4.87 4.87 3.63 3.56 2.59 2.48 2.47 2.46 -2.23 1.94 1.93 1.91 1.91 1.86 -1.61 1.35 1.34 1.34 1.33 -1.27 1.12 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 3 3 3 2 2 2 2 2 2 3 2 3 3 3 2 2 3 3 3 3 2 2 3 3 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S S S S S S S P:z S S S S S S S S S S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.732 -5.732 1.164 -5.732 1.722 1.722 2.733 -6.402 -6.402 1.722 1.722 1.164 1.164 -6.402 -6.402 1.722 1.722 1.164 -5.732 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">8 13 15 2 8 13 15 2 101 102 101 103 6 11 105 6 11 9 19 103 100 14 1 14 1 102 100 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W Tc Tc Tc Tc W W P W W W W Tc Tc W W W W Tc Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">654</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.21 6.20 6.07 6.06 5.80 5.79 5.56 5.54 5.21 5.20 5.17 5.17 5.15 5.14 4.35 4.34 -3.36 -3.10 2.41 2.40 2.39 2.17 2.16 1.57 1.42 1.41 -1.07 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S S S S S S S S S P:z P:z S S S S S S S S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -0.512 -0.512 1.164 1.722 1.722 -6.402 -6.402 -5.732 -6.402 -6.402 -0.512 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">4 17 2 15 20 10 8 13 2 15 4 17 8 13 20 10 100 102 102 12 7 12 7 102 16 3 103 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W Tc Tc Tc W W W W Tc W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.396</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">655</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.26 3.21 3.21 3.17 3.14 3.14 3.12 3.07 2.46 2.44 2.40 2.38 2.23 2.20 2.19 2.15 2.11 1.99 1.47 1.44 1.42 1.40 1.38 1.33 1.32 1.30 1.29 1.25 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 2 2 3 2 3 2 3 2 2 2 2 3 2 3 3 3 2 2 2 1 1 3 3 2 3 2 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S S S S S P:y S S S P:y S S D:xz D:xz S S S S S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.722 -6.402 -6.402 1.722 -6.402 1.722 -6.402 1.722 -6.402 -6.402 -6.402 -6.402 1.722 -5.665 1.722 1.722 1.722 -5.665 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 1.722 -6.402 1.722 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 1.00 0.00 0.00 0.00 1.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">18 7 5 5 18 12 12 7 19 16 9 3 3 104 9 16 19 105 2 15 16 3 15 2 10 20 20 10 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W P W W W P W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">656</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.61 2.57 2.17 2.17 2.13 2.13 1.99 1.99 1.97 1.96 1.74 1.74 1.48 1.48 1.25 1.25 1.22 1.22 1.15 1.11 1.10 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 2 1 1 2 2 2 2 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y D:x2-y2 D:x2-y2 S S S S D:x2-y2 D:x2-y2 S S S S D:xz D:xz D:xz D:xz D:yz D:yz D:yz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-5.665 -5.665 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 1.722 1.722 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 0.80 0.80 2.00 2.00 2.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">104 105 14 1 20 10 2 15 6 11 10 20 15 2 13 8 3 16 103 16 3 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">P P W W W W W W W W W W W W W W W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">657</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.63 5.47 5.47 5.26 4.92 4.72 4.52 4.35 3.54 3.40 3.15 3.02 2.63 2.52 2.36 2.25 2.21 2.13 1.82 1.79</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">3 3 3 3 2 2 2 2 3 3 3 3 2 2 2 2 1 1 1 1</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 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">16 3 19 9 3 16 9 19 2 15 10 20 15 2 20 10 6 11 1 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">658</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.91 3.72 3.71 3.62 3.52 3.51 3.37 3.29 3.14 3.03 2.93 2.90 2.85 2.75 2.72 2.59 2.31 2.22 1.87 1.82 1.60 1.59 1.53 1.49 1.35 1.35 1.24 1.23 1.23 1.20 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 1 1 1 1 2 2 2 2 3 3 1 1 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S S S S S S P:y P:y S S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -10.027 -10.027 1.722 1.722 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 1.33 1.33 0.00 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">13 8 17 7 4 5 12 18 18 12 5 8 7 13 4 17 6 11 1 14 6 1 11 14 11 14 63 58 1 6 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W W W W W W W W W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">659</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.48 9.34 5.21 5.19 2.55 2.46 1.93 1.93 1.80 1.78 1.65 1.65 1.65 1.62 1.56 1.54 1.52 1.51 1.34 1.08 1.07 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:yz D:yz P:z P:z P:z P:z P:z P:z D:xy D:xy P:x P:z D:z2 P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 0.156 -4.411 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">20 10 19 9 9 19 19 9 8 13 84 53 80 89 48 92 20 10 93 96 9 20 19 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W O O O O O O W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.644</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">660</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.37 9.37 5.21 5.11 2.37 2.36 2.06 2.01 1.67 1.66 1.64 1.64 1.57 1.55 1.50 1.49 1.40 1.38 1.27 1.24 1.23 1.19 1.19 1.14 1.14 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy P:z P:z P:z P:z D:yz D:yz P:z P:z D:xy D:xy P:x D:z2 D:z2 D:xz D:xz P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 0.156 0.156 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 2 16 3 3 16 16 3 32 65 64 31 4 17 44 69 15 2 30 3 16 16 3 16 3 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O O O W W O O W W O W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.652</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">661</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">3.41 3.33 3.18 3.15 2.81 2.73 2.70 2.68 2.63 2.56 2.54 2.48 2.40 2.35 2.34 2.34 2.27 2.23 2.23 2.16 1.52 1.48 1.46 1.43 1.40 1.38 1.34 1.30 1.19 1.10 1.08 1.08 1.07 1.06 1.04 1.04 1.04 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">3 3 3 3 2 2 2 1 2 1 1 2 1 2 3 2 2 3 3 3 3 3 3 1 3 1 1 1 1 1 1 1 2 2 1 2 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">S S S S S S S D:x2-y2 S D:x2-y2 D:x2-y2 S D:x2-y2 S S S S S S S S S S P:y S P:y P:y P:y D:yz D:yz D:z2 D:yz S S D:yz S D:z2 D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -4.411 -6.402 -4.411 -4.411 -6.402 -4.411 -6.402 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -10.027 1.722 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -4.411 -6.402 -4.411 -4.411 1.722 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80 2.00 0.80 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 1.33 1.33 1.33 0.80 0.80 0.80 0.80 2.00 2.00 0.80 2.00 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">17 4 8 13 17 4 8 14 13 1 6 20 11 10 20 2 15 2 10 15 16 3 9 70 19 47 63 58 10 2 14 15 16 5 20 9 1 6 5 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">W W W W W W W W W W W W W W W W W W W W W W W O W O O O W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">662</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">8.41 8.32 7.41 7.32 7.05 6.92 6.29 6.16 1.11 1.10 1.08 1.07 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">3 3 3 3 2 2 2 2 2 2 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S S D:x2-y2 D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.732 -6.402 -4.411 -4.411 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">6 11 14 1 6 11 14 1 101 7 11 1 3 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">W W W W W W W W Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.710</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">663</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.82 4.82 4.03 4.03 3.84 3.83 3.58 3.54 2.93 2.93 2.15 2.12 1.68 1.68 1.67 1.66 1.42 1.41 1.39 1.39 1.10 1.09 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 3 3 2 2 1 1 2 2 1 1 2 2 2 2 3 3 3 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S D:yz D:yz S S D:yz D:yz S S S S S S S S D:yz D:yz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -4.411 -4.411 -6.402 -6.402 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.00 0.00 2.00 2.00 0.80 0.80 2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">14 1 11 6 14 1 12 7 6 11 5 18 10 20 15 2 15 2 20 10 13 8 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.734</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="22">6.34 6.25 4.45 4.41 2.09 2.07 1.85 1.80 1.44 1.43 1.33 1.29 1.20 1.18 1.13 1.12 1.11 1.09 1.07 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 2 2 1 1 3 3 1 1 2 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:yz D:yz S S D:xy D:xy S S D:xy D:xy S S P:z P:z D:yz D:yz D:yz D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 0.00 0.00 0.80 0.80 2.00 2.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">12 7 18 5 6 11 12 7 6 11 5 18 13 8 50 55 13 8 17 15 4 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W O O W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.737</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="28">4.40 4.38 4.25 4.22 3.16 3.16 2.97 2.93 2.68 2.68 2.64 2.62 2.44 2.43 2.41 2.40 2.08 2.08 2.07 2.06 1.45 1.44 1.38 1.36 1.16 1.16 1.13 -1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 2 1 1 2 2 2 2 3 3 3 3 2 3 2 3 3 3 2 2 3 3 1 1 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S D:yz D:yz S S S S S S S S S S S S S S S S S S D:yz D:yz D:xy D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.402 -6.402 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 1.722 -6.402 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -6.581 1.164</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 17 18 5 14 1 8 13 1 14 4 17 9 9 19 19 16 3 3 16 8 13 12 7 5 18 106 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W W W W W W W H Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.747</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="17">12.91 12.89 2.64 2.63 2.16 2.13 2.13 2.08 2.05 1.92 1.51 1.41 1.22 1.20 1.16 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xz D:xz D:xz D:xz D:yz P:y P:y D:yz D:yz D:yz P:y P:y D:yz D:yz D:yz D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 11 1 14 19 86 93 9 13 8 73 85 20 10 7 13 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W W W O O W W W O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.756</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="26">6.71 6.67 6.10 6.08 5.54 5.51 5.23 5.22 2.09 2.06 1.57 1.51 1.51 1.48 -1.30 1.28 1.28 1.26 1.25 -1.19 1.14 1.10 1.09 1.07 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 2 2 2 3 3 3 3 2 2 2 2 3 3 2 3 3 3 3 2 2 2 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S S S S S S S P:z S S S S P:z S S S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -0.512 1.722 1.722 1.722 1.722 -0.512 -6.402 -6.402 -6.402 -4.411 -6.402 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">16 3 19 9 16 3 19 9 6 11 12 7 12 7 103 5 6 11 18 101 5 18 20 10 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W W Tc W W W W Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">668</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">12.53 12.46 2.46 2.46 2.44 2.40 2.37 1.83 1.82 1.77 1.49 1.28 1.24 1.22 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:xz D:xz P:y D:yz D:yz D:xz D:xz D:yz D:yz P:y P:y D:x2-y2 D:x2-y2 P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">14 1 37 4 17 6 11 16 3 30 26 4 17 28 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">W W O W W W W W W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">669</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">8.02 8.01 7.55 7.55 -6.82 6.60 6.57 6.45 6.43 -4.64 -4.53 3.28 3.27 3.23 3.22 2.89 2.88 2.68 2.66 2.43 1.93 1.92 -1.87 1.74 -1.48 1.47 1.44 1.34 1.34 1.33 1.33 1.20 1.19 1.19 1.19 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">2 2 3 3 2 3 3 2 2 2 3 3 3 2 2 3 3 2 2 1 2 2 3 3 3 1 1 2 2 2 2 3 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S S S S S S S S S S S S S S S S S S S S S P:x D:xz D:xz S S S S S S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -5.732 1.722 1.722 -6.402 -6.402 -5.732 1.164 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.581 -6.402 -6.402 1.164 1.164 2.733 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 1.722 1.722 3.073 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 1.00 2.00 2.00 0.00 0.00 0.00 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">7 12 7 12 101 18 5 18 5 103 103 19 9 19 9 3 16 1 14 107 3 16 101 100 105 3 16 10 20 13 8 13 8 107 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W Tc W W W W Tc Tc W W W W W W W W H W W Tc Tc P W W W W W W W W H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">670</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.60 5.54 4.52 4.49 3.24 3.21 2.90 2.86 2.83 2.81 2.77 2.53 2.50 2.49 2.48 2.42 2.33 -1.97 1.91 -1.89 1.86 1.83 1.80 1.74 1.62 1.56 1.18 1.17 1.10 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 3 2 2 3 1 3 3 3 2 1 2 1 2 3 2 2 3 3 3 2 2 1 1 3 3 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S D:xz S D:xz S S P:x S S S S S S D:xz D:xz S S S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 -6.581 1.722 1.722 1.722 -6.402 -4.411 -6.402 -4.411 -5.732 1.164 -0.512 3.073 1.164 1.722 1.722 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 -6.402 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 0.00 0.00 2.00 2.00 0.00 1.00 0.00 0.00 0.00 2.00 0.80 2.00 0.80 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">2 15 2 15 5 18 4 106 17 13 8 13 19 8 9 101 102 100 106 101 5 18 4 17 3 16 20 10 11 6 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W H W W W W W W W Tc Tc Tc H Tc W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">671</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">4.05 4.02 3.03 3.02 2.98 2.98 2.98 2.92 2.26 2.26 2.25 2.22 2.07 2.05 1.91 1.91 1.25 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 3 2 3 1 2 1 1 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz D:xz D:xz S S S D:xz S D:xz D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:x2-y2 D:xz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 1.722 -6.402 1.722 -4.411 -6.402 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.80 0.00 2.00 0.00 0.80 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">16 3 17 17 17 4 4 4 18 15 2 5 18 5 2 15 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">672</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.26 4.25 4.17 4.13 4.11 4.08 2.37 2.35 2.26 2.25 2.17 2.16 1.92 1.92 1.75 1.75 1.42 1.39 1.12 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">2 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S D:xz D:xz D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz S S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">8 13 8 13 9 19 8 13 7 12 7 12 20 10 20 10 6 11 17 4 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.993</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">673</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">3.49 3.46 3.02 3.01 2.77 2.76 2.70 2.68 2.34 2.32 2.13 2.12 2.01 1.99 1.94 1.92 1.89 1.88 1.83 1.82 1.78 1.78 1.77 1.76 1.65 1.65 1.64 1.63 1.48 1.48 1.44 1.44 1.32 1.32 1.31 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">2 2 2 2 2 2 3 3 3 3 3 3 2 2 1 1 2 2 2 2 3 3 1 1 3 3 2 2 3 3 2 2 2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S S S S S S S S S S S D:xz D:xz S S S S S S D:xz D:xz S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -4.411 -4.411 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">2 15 10 20 8 13 2 15 10 20 11 6 4 17 13 8 9 19 6 11 14 1 17 4 19 9 3 16 3 16 14 1 5 18 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.997</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">674</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.01 4.00 3.49 3.45 2.29 2.25 2.24 2.24 2.22 2.02 2.00 1.79 1.78 1.60 1.53 1.52 1.52 1.50 1.46 1.44 1.33 1.32 1.31 1.29 1.27 1.26 1.24 -1.16 1.16 1.13 1.11 1.08 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 1 1 1 2 1 1 2 3 3 2 2 2 2 1 1 2 3 3 1 1 1 1 3 3 1 2 1 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S D:xz D:xz D:xz S S D:xz S S S S S S S D:xz D:xz S S S D:xz D:xz D:x2-y2 D:x2-y2 S S S P:x D:x2-y2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.722 1.722 -4.411 -4.411 -4.411 -6.402 -6.581 -4.411 -6.402 1.722 1.722 -6.402 -6.402 3.073 -6.402 -4.411 -4.411 -6.402 1.722 1.722 -4.411 -4.411 -4.411 -4.411 1.722 1.722 -6.581 -0.512 -6.750 -6.402 -6.402 -6.402 -6.402 1.164</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.80 0.80 0.80 2.00 1.00 0.80 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.80 0.80 2.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 1.00 0.00 1.00 2.00 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">13 8 9 19 8 13 107 13 8 20 10 20 10 107 15 3 16 2 15 2 4 17 6 11 4 17 106 102 103 18 5 7 12 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W H W W W W W W H W W W W W W W W W W W W H Tc Tc W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.024</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">675</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.16 6.12 5.83 5.80 5.16 5.14 4.89 4.85 3.51 3.47 3.15 3.15 3.13 3.10 2.99 2.94 2.73 2.69 2.68 2.65 2.55 2.52 2.33 2.31 2.30 2.26 1.94 1.92 1.61 1.58 1.36 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 2 2 2 2 2 2 3 3 2 3 2 3 3 3 2 2 2 2 3 3 2 2 3 3 3 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S 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="32"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 1.722 -6.402 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">20 10 4 17 15 2 8 13 10 20 7 17 12 4 2 15 5 16 18 3 13 8 19 9 12 7 18 5 3 16 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">676</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">13.43 11.19 4.74 4.09 2.53 2.52 2.46 2.46 2.02 2.01 1.89 1.89 -1.77 1.68 -1.67 1.67 1.47 1.41 1.40 1.36 1.35 1.19 1.19 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 3 3 1 1 1 1 2 2 3 3 2 3 2 3 1 2 2 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S D:xz D:xz D:xz D:xz S S S S P:x S P:x S S S S S S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.732 -5.732 1.164 1.164 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 1.722 1.722 -0.512 1.722 -0.512 1.722 -6.581 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 -6.581</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 2.00 2.00 2.00 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">101 103 101 103 8 13 4 17 9 19 16 3 103 9 101 19 107 3 16 5 18 14 1 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc Tc Tc W W W W W W W W Tc W Tc W H W W W W W W H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.833</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">320</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">78.58 2.42 2.41 1.67 1.66 1.47 1.46 1.17 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -6.750 -6.750</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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">39 76 74 81 56 95 51 103 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O O O O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.804</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">321</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">14.59 14.33 10.46 10.24 8.81 8.70 4.28 4.18 4.15 4.10 3.73 3.67 2.75</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">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="13">61 27 97 35 54 43 41 45 36 98 25 60 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-24.765</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">322</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.58 15.48 14.61 14.48 7.87 7.82 5.38 5.38 3.04 3.03 2.04 2.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">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="12">56 81 74 76 51 95 83 59 75 91 82 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-24.732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">323</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.04 14.80 13.65 13.45 10.78 10.57 3.57 3.52 3.12 3.05 2.67 2.62</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">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="12">27 61 35 97 43 54 45 41 98 36 60 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-17.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">324</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.43 9.34 9.30 9.17 8.80 7.87 4.55 4.50 4.50 4.44 4.36 4.36 4.30 4.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:y P:y P:x S S P:z S S S P:z P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -15.731 3.851 -10.027 -26.921 -26.921 -26.921 -10.027 -10.027 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 2.00 0.00 1.33 2.00 2.00 2.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">96 72 90 23 105 105 96 90 72 23 23 90 72 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P P 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">-17.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.01 9.46 9.43 9.23 8.93 7.78 4.52 4.51 4.45 4.45 4.44 4.36 4.34 4.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:y P:y P:x S S S S P:z S P:z P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -15.731 3.851 -26.921 -26.921 -10.027 -26.921 -10.027 -10.027 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 2.00 0.00 2.00 2.00 1.33 2.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">40 52 46 38 104 104 52 46 38 38 40 46 52 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P P 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">-14.721</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">326</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">14.99 14.71 14.53 7.73 6.60 5.69 5.68 4.28 2.04 1.42 1.16 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 2 1 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">P:z P:z P:x P:x P:x P:x P:x P:x S S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 2.733 -26.921 -26.921 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.00 2.00 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">96 23 96 105 23 90 72 105 96 23 73 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O P O O O P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">327</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">15.67 14.60 14.43 7.54 5.63 5.63 5.37 4.23 2.15 1.27 1.26 1.19 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 2 1 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:z P:z P:x P:x P:x P:x P:x S S D:xz P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 2.733 -26.921 -26.921 -6.750 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.00 2.00 2.00 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">40 40 38 104 52 46 38 104 40 38 100 28 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O P O O O P O O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.642</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">328</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.45 14.35 9.91 9.72 8.95 5.89 5.83 3.28 1.85 1.84 1.35 1.34 1.20 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">90 72 72 90 105 23 96 105 72 90 11 6 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.621</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">329</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.41 14.37 9.88 9.79 8.94 5.90 5.75 3.27 1.84 1.84 1.36 1.36 1.20 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">46 52 52 46 104 38 40 104 52 46 14 1 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.616</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">330</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="7">16.86 15.10 15.00 11.16 8.62 3.47 1.34</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="7">1 1 1 1 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="7">P:x P:y P:y P:x P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 2.733 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">1.33 1.33 1.33 1.33 1.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">23 90 72 96 105 105 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O O O P P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.579</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">331</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">18.41 14.68 14.67 9.44 8.45 3.38 1.60 1.59</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 2 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">P:x P:y P:y P:x P:z P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 2.733 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.33 1.33 1.33 1.33 1.00 0.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">38 46 52 40 104 104 38 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O P P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">332</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">5.75 5.72 4.81 4.58 4.47 4.22 3.03 3.00 2.99 2.96 2.04 2.03 1.88 1.88 1.87 1.87 1.64 1.63 1.57 1.55 1.55 1.55 1.55 1.54 1.51 1.51 1.43 1.43 1.40 1.39 1.29 1.29 1.13 1.12 1.12 1.11 1.07 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">D:xz D:xz P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:x P:z P:x D:yz D:yz P:y P:y D:yz D:yz P:x P:x D:xz D:xz P:x P:x P:y P:y P:x P:x P:y D:x2-y2 D:x2-y2 P:y P:y P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">6 11 85 86 73 93 53 80 94 87 77 99 79 94 24 87 7 12 87 94 10 20 53 80 6 11 99 77 80 53 79 24 99 8 13 77 24 79 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">W W O O O O O O O O O O O O O O W W O O W W O O W W O O O O O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">333</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">5.76 5.76 4.74 4.64 4.38 4.28 3.14 3.13 2.95 2.95 1.97 1.96 1.94 1.93 1.86 1.85 1.62 1.62 1.61 1.61 1.58 1.58 1.55 1.53 1.52 1.52 1.45 1.44 1.41 1.41 1.32 1.31 1.09 1.09 1.09 1.09 1.07 1.07 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">D:xz D:xz P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x D:yz D:yz D:yz D:yz P:x P:x P:y P:y D:xz D:xz P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">1 14 26 28 37 30 32 65 34 67 66 33 62 29 67 34 5 18 2 15 32 65 67 34 1 14 65 32 66 33 29 62 29 33 62 66 4 17 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">W W O O O O O O O O O O O O O O W W W W O O O O W W O O O O O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">334</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">6.12 5.68 4.93 4.63 3.27 3.25 2.87 2.85 2.85 2.82 2.55 2.55 1.87 1.85 1.79 1.77 1.72 1.70 1.65 1.65 1.56 1.56 1.51 1.51 1.41 1.40 1.34 1.34 1.32 1.32 1.28 1.27 1.20 1.19 1.17 1.16 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:x P:x D:yz D:yz D:yz D:yz P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">93 86 73 85 53 80 79 24 94 87 77 99 6 11 80 53 87 94 94 87 53 80 10 20 7 12 79 24 99 77 24 79 99 77 9 19 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O W W O O O O O O O O W W W W O O O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">335</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">5.92 5.67 4.86 4.77 3.23 3.22 2.95 2.94 2.83 2.82 2.60 2.59 1.87 1.87 1.78 1.77 1.76 1.76 1.70 1.70 1.53 1.52 1.49 1.49 1.45 1.45 1.35 1.34 1.29 1.29 1.24 1.23 1.21 1.20 1.13 1.12 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:x P:x D:yz D:yz D:yz D:yz P:x P:x P:x P:x P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">30 37 28 26 32 65 67 34 62 29 66 33 1 14 67 65 34 32 67 34 65 32 2 15 18 5 66 33 29 62 29 62 33 66 3 16 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O W W O O O O O O O O W W W W O O O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.87 7.86 7.74 4.84 4.84 3.76 2.75 2.74 2.64 2.62 1.89 1.88 1.69 1.67 1.49 1.48 1.48 1.48 1.47 1.47 1.42 1.42 1.42 1.40 1.26 1.25 1.21 1.21 1.19 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x D:yz P:x P:x D:yz P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x D:xz D:xz P:y D:x2-y2 D:x2-y2 P:y P:y P:y D:x2-y2 D:x2-y2 D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">75 91 103 76 74 102 51 95 82 57 56 81 83 59 82 57 95 51 9 19 57 7 12 82 95 51 10 20 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O Tc O O Tc O O O O O O O O O O O O W W O W W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">10.28 10.27 4.05 4.05 2.66 2.64 2.18 2.17 1.97 1.95 1.95 1.95 1.87 1.86 1.73 1.72 1.54 1.38 1.38 1.23 1.22 1.17 1.16 1.16 1.15 1.09 1.09 1.08 1.07 1.06 1.06 1.05 1.05 1.02 1.02 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:x P:x P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 P:x P:x P:y P:y P:y D:xz D:xz P:y P:x P:x P:y P:y D:xz D:xz D:xz D:xz P:x P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">75 91 76 74 82 57 51 95 83 12 7 59 20 10 56 81 103 82 57 57 82 95 9 19 51 83 59 59 83 8 7 13 12 95 51 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O W W O W W O O Tc O O O O O W W O O O O O W W W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">338</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">11.54 10.91 3.68 3.41 2.39 2.34 2.25 2.21 2.21 2.09 2.02 1.96 1.91 1.82 1.56 1.46 1.32 1.29 1.24 1.21 1.19 1.18 1.14 1.11 1.10 -1.09 1.07 1.04 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:x P:x P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 P:z D:x2-y2 P:z P:z P:z P:x P:x P:x P:x P:y P:y D:xz P:y P:y S D:xz D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -5.732 -4.411 -6.750 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 2.00 0.80 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">25 60 61 27 36 41 98 45 2 15 5 54 18 43 97 35 36 41 98 45 41 36 5 45 98 101 18 100 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W W W O W O O O O O O O O O W O O Tc W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">339</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">9.45 8.78 5.32 4.83 4.58 4.47 2.48 2.36 2.35 2.25 2.21 2.09 1.86 1.75 1.66 1.54 1.47 1.36 1.34 1.33 1.29 1.27 1.24 1.24 1.24 1.21 1.18 1.18 1.17 1.13 1.12 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:x D:yz P:x P:x D:yz P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz P:x P:x D:xz P:x D:xz P:y P:x P:x D:xz P:y P:y P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">60 25 100 27 61 101 43 98 54 45 36 41 35 97 15 2 18 5 4 45 98 17 41 3 98 36 35 16 36 45 97 41 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O Tc O O Tc O O O O O O O O W W W W W O O W O W O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">340</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.04 8.04 4.71 4.65 3.51 3.45 2.77 2.73 2.57 2.55 2.54 2.53 2.32 2.30 2.08 2.03 1.86 1.85 1.81 1.80 1.71 1.69 1.65 1.65 1.48 1.47 1.29 1.28 1.19 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x D:xz D:xz P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">6 11 53 80 94 87 79 24 94 87 53 80 80 53 77 99 79 24 87 94 77 99 11 6 24 79 76 74 77 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.91 7.89 4.68 4.65 3.50 3.48 2.71 2.69 2.50 2.50 2.48 2.48 2.27 2.26 2.02 2.01 1.84 1.84 1.76 1.75 1.68 1.68 1.64 1.64 1.50 1.50 1.40 1.40 1.18 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x D:xz D:xz P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 14 32 65 34 67 62 29 32 65 34 67 65 32 66 33 62 29 67 34 33 66 1 14 29 62 27 61 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">342</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.69 4.53 4.36 4.24 3.92 3.91 3.91 3.88 3.83 3.83 3.22 3.20 2.69 2.67 1.90 1.85 1.56 1.53 1.28 1.24 1.24 1.23 1.22 1.21 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:y P:y P:x P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">94 87 77 99 24 79 53 80 6 11 94 87 80 53 94 87 77 99 77 24 79 99 53 80 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W W 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">-13.335</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">343</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.64 4.64 4.25 4.23 3.99 3.95 3.94 3.89 3.81 3.80 3.17 3.14 2.73 2.73 1.87 1.87 1.55 1.53 1.26 1.25 1.25 1.24 1.21 1.21 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">67 34 33 66 62 29 32 65 1 14 67 34 65 32 67 34 33 66 32 65 33 66 62 29 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W W 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">-13.311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.44 11.08 7.00 6.33 2.18 2.09 2.08 2.03 2.03 1.99 1.92 1.85 1.84 1.84 1.79 1.78 1.76 1.76 1.62 1.60 1.25 1.24 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y P:z D:x2-y2 P:z D:x2-y2 P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z D:yz P:z D:yz D:yz D:yz D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">86 93 85 73 87 8 94 13 53 80 99 9 19 77 79 12 24 7 10 20 13 8 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W O W O O O W W O O W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">345</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.44 11.04 7.18 6.05 2.26 2.22 2.10 2.08 1.92 1.92 1.90 1.90 1.87 1.87 1.81 1.81 1.80 1.78 1.53 1.53 1.24 1.24 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:z P:z D:yz P:z D:yz P:z D:yz D:yz D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">30 37 28 26 65 32 3 16 17 4 29 34 67 62 15 66 2 33 5 18 16 3 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W W W O O O O W O W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.268</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">346</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">13.87 12.30 8.85 8.09 1.98 1.94 1.85 1.84 1.73 1.73 1.71 1.67 1.36 1.33 1.30 1.30 1.29 1.26 1.22 1.21 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:y P:y P:z P:z D:yz D:yz P:z D:yz D:yz P:z D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">93 86 73 85 80 53 20 10 87 12 7 94 9 19 19 8 9 13 13 8 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W W O W W O W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">347</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.87 12.51 8.72 8.17 1.84 1.84 1.83 1.82 1.80 1.80 1.73 1.73 1.46 1.45 1.38 1.36 1.18 1.17 1.17 1.16 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:y D:yz P:z D:yz P:z P:z P:z D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">37 30 26 28 5 34 18 67 32 65 15 2 4 17 17 4 16 3 3 16 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W O W O O O W W W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">348</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.36 8.32 7.58 7.55 2.94 2.94 2.20 2.20 2.05 2.04 2.04 2.04 2.02 2.02 1.83 1.83 1.61 1.61 1.33 1.25 1.25 1.08 1.07 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:x P:z P:z P:z P:z P:y D:xz D:xz P:y D:xz D:xz P:x P:x P:z P:z D:xy P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">91 75 76 74 51 95 56 81 23 19 9 96 8 13 90 72 82 57 103 83 59 7 12 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O W W O W W O O O O Tc O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">349</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.42 8.29 7.94 7.78 2.93 2.89 2.41 2.41 2.38 2.38 2.21 2.08 2.06 1.82 1.81 1.62 1.33 1.32 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:x P:x P:z P:z P:z D:xz P:z D:xz P:y D:xz D:xz P:x P:x P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">61 27 25 60 54 43 97 17 35 4 40 16 3 52 46 38 41 45 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W O W O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.108</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">350</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.37 10.36 9.59 9.56 2.23 2.20 1.90 1.89 1.78 1.76 1.60 1.58 1.27 1.26 1.13 1.12 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:x P:x P:z P:z D:xz D:xz D:xz D:xz P:z P:z P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">75 91 74 76 51 95 8 13 9 19 56 81 95 51 81 56 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O W W W W 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">-13.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">351</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">10.47 10.30 9.04 8.93 2.16 2.11 2.11 2.06 2.05 2.01 1.97 1.92 1.63 1.37 1.37 1.10 1.10 1.08 1.07 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:x D:xz D:xz P:z P:z D:xz D:xz P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">27 61 60 25 4 17 43 54 3 16 35 97 22 35 97 43 54 35 97 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O W W O O W W 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">-12.918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">352</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.74 3.46 3.45 2.98 2.97 2.84 2.83 2.83 2.82 2.27 2.27 1.93 1.92 1.79 1.79 1.70 1.58 1.56 1.52 1.40 1.39 1.30 1.25 1.25 1.21 1.21 1.18 1.17 1.11 1.11 1.09 1.05 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:z2 D:z2 D:z2 P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:x P:x P:x P:z P:z P:z P:z P:z P:x D:xy D:xy P:y P:y D:z2 D:z2 P:y P:y D:z2 P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">103 6 11 53 80 51 95 94 87 24 79 82 57 99 77 85 91 75 93 94 87 73 12 7 75 91 7 12 83 59 102 93 56 81 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">Tc W W O O O O O O O O O O O O O O O O O O O W W O O W W O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.869</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">353</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">14.70 7.36 5.89 4.06 2.61 2.41 2.00 1.86 1.78 1.65 1.61 1.51 1.51 1.36 1.36 1.24 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:z P:x S D:x2-y2 P:z P:x P:z D:xz S D:z2 P:z P:z P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.581 -6.750 -10.027 -10.027 -10.027 -6.750 -26.921 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.00 2.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">22 40 22 106 100 38 40 28 100 22 100 65 32 25 60 26 52 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O H Tc O O O Tc O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">354</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.11 8.69 7.56 7.55 2.56 2.55 2.49 2.11 2.10 -2.01 1.90 1.88 1.82 1.80 1.56 1.31 1.24 1.22 1.18 1.17 1.17 1.16 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:yz P:y P:y P:y P:y P:y P:y P:y D:yz D:yz P:z P:z D:xz D:xz D:xz D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 11.931 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 0.80 0.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">96 23 90 72 6 11 105 63 58 105 53 80 94 87 103 102 91 75 10 7 20 12 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W W P O O P O O O O Tc Tc O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.837</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">355</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">11.46 10.27 3.24 2.98 2.97 2.72 2.49 2.22 2.22 2.17 2.15 2.14 1.57 1.56 1.41 1.37 1.37 1.37 1.32 1.22 1.22 1.18 1.14 1.13 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:y P:y D:x2-y2 P:x D:x2-y2 P:z P:x D:xy D:xy D:xy D:xy P:x P:z P:z P:x P:z P:z P:z P:y P:y D:z2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">96 23 21 91 75 102 96 103 73 85 7 12 10 20 73 84 89 21 85 50 55 90 72 105 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O Tc O Tc O O W W W W O O O O O O O O O P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.47 3.47 3.33 3.31 3.22 3.05 3.01 2.91 2.81 2.80 2.76 2.75 2.74 2.69 2.66 2.54 2.50 2.37 2.14 2.13 1.30 1.26 1.25 1.12 1.09 1.06 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y D:z2 D:z2 P:x P:x P:x P:z P:z P:x P:x D:xy D:xy P:x P:x P:x P:x P:x D:xy D:xy P:z P:x D:x2-y2 P:z P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">25 60 1 14 28 65 32 22 40 66 33 2 15 62 29 67 34 26 5 18 38 22 100 61 27 35 97 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O W W O O O O O O O W W O O O O O W W O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">357</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.18 8.68 7.74 7.72 2.81 2.80 2.61 2.29 2.27 2.25 2.24 -2.13 1.85 1.83 1.38 1.38 1.35 1.35 1.12 1.11 1.06 1.05 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:yz P:y P:y P:y P:y P:y P:y P:y P:z P:z D:xz D:xz P:y P:y D:xz D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 11.931 -10.027 -10.027 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 0.156 0.156 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 0.80 0.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">40 38 46 52 1 14 104 65 32 70 47 104 67 34 25 60 18 5 14 1 2 15 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W W P O O O O P O O O O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">358</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">12.17 12.14 2.18 1.95 1.81 1.80 1.77 1.65 1.57 1.57 1.46 1.46 -1.43 1.25 1.25 1.22 1.17 1.17 1.16 1.15 1.13 1.10 1.09 1.08 1.07 1.06 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:z P:z P:z D:x2-y2 P:x P:z P:z P:x P:x P:z P:y P:y P:x D:xz D:xz P:x P:x D:xz P:z P:z P:z D:yz D:yz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">72 90 96 86 74 76 105 23 78 88 87 94 105 90 72 86 8 13 80 53 103 87 94 23 12 7 93 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O P O O O O O P O O O W W O O Tc O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">359</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">12.46 12.46 3.58 3.08 2.32 2.31 2.29 2.29 2.25 -1.88 1.64 1.64 1.59 1.57 1.29 1.29 1.21 1.21 1.18 1.18 1.07 1.07 1.06 1.04 1.04 1.02 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:z P:z P:x P:x P:x P:x D:x2-y2 P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z D:yz D:yz P:z D:xy D:xy D:yz D:yz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 2.733 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">52 46 38 40 34 67 32 65 104 104 27 61 37 30 25 60 31 64 42 68 1 14 30 17 4 2 15 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O P P O O O O O O O O O O W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.687</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">360</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.00 5.47 3.61 3.58 2.96 2.92 2.91 2.35 2.07 1.97 1.71 1.59 1.48 1.45 1.41 1.37 1.33 1.32 1.12 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:x P:x P:z P:x P:x P:x P:x S P:x P:x P:x P:x S D:x2-y2 P:z P:z D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -10.027 -10.027 -10.027 -6.581 -6.750 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">22 21 96 38 38 90 72 22 39 106 21 23 52 46 107 101 72 90 102 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O H O O O O H Tc O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">361</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.49 7.06 7.05 6.62 3.43 2.60 2.59 2.52 2.52 2.30 2.29 2.19 1.99 1.99 1.85 1.73 1.72 1.57 1.57 1.53 1.53 1.43 1.43 1.41 1.41 1.32 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:x P:y P:y P:x P:x P:y P:y P:x P:x D:xy P:x P:x P:y D:xy D:xy P:y P:y P:y P:y P:x P:x P:y P:y D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">23 90 72 96 86 91 75 94 87 74 76 105 81 56 93 6 11 77 99 53 80 82 57 79 24 102 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O P O O O W W O O O O O O O O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">362</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">8.71 7.23 3.65 3.54 2.88 2.83 2.67 2.66 2.34 2.10 2.01 1.81 1.59 1.16 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:z P:x P:x P:z P:x P:x P:x P:x S P:x S P:z P:x P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -6.581 -10.027 -10.027 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">22 21 72 90 38 23 96 38 22 106 21 107 40 57 82 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O H O H O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">363</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.87 6.86 3.91 3.86 3.82 3.36 3.32 2.53 2.43 2.38 2.37 2.31 2.27 2.17 2.16 1.95 1.91 1.78 1.78 1.70 1.47 1.44 1.35 1.33 1.22 1.21 1.05 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:yz P:z P:y P:z P:z P:z P:x P:x P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:y D:xz D:xz P:y P:y P:y P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">103 102 56 96 81 51 95 51 95 95 51 83 59 56 81 82 57 59 83 93 8 13 83 59 57 82 81 56 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc Tc O O O O O O O O O O O O O O O O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.641</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">364</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.07 7.96 7.90 7.77 3.02 2.68 2.65 2.61 2.60 2.42 2.39 2.01 1.97 1.96 1.94 1.82 1.81 1.72 1.71 1.65 1.63 1.42 1.38 1.13 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:x P:x P:y P:x P:x P:y P:y P:y D:xy D:xy D:xy P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">38 40 46 52 37 60 25 34 67 30 104 1 14 27 61 32 65 33 66 29 62 54 43 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O P W W 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">-12.536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">365</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.29 8.21 3.62 3.60 3.57 3.55 3.08 3.06 2.89 2.86 2.75 2.73 2.66 2.61 2.55 2.51 1.46 1.45 1.44 1.43 1.41 1.39 1.36 1.35 1.18 1.17 1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:yz P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:y P:y P:y P:y P:x P:y P:x P:y P:y P:y D:xz D:xz P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 101 54 43 97 35 97 35 36 98 41 45 97 35 54 43 54 36 43 98 41 45 16 3 36 98 41 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc O O O O O O O O O O O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">366</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.06 8.36 8.34 7.38 2.75 2.48 2.47 2.37 2.10 2.01 1.99 1.81 1.51 -1.50 1.44 1.38 1.37 1.27 1.08 1.07 1.04 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:x P:x P:x D:xy D:xy S P:x P:x P:x D:xz P:z P:x S D:z2 D:z2 P:x P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.581 -10.027 -10.027 -10.027 11.931 -10.027 2.733 -26.921 -4.411 -4.411 -0.512 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 0.00 1.33 0.00 2.00 0.80 0.80 0.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">22 46 52 40 38 1 14 106 22 43 54 104 21 104 22 4 17 100 32 65 33 66 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W H O O O P O P O W W Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">367</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">31.80 6.94 5.54 4.44 4.43 3.43 2.18 2.00 1.98 1.97 1.70 1.46 1.41 1.41</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 2 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z S P:x P:x P:x S P:x S P:x P:x D:xz P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -6.581 -10.027 -10.027 -10.027 -26.921 -10.027 3.073 -10.027 -10.027 -6.750 -0.512 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.00 1.33 1.33 1.33 2.00 1.33 0.00 1.33 1.33 1.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">21 107 21 90 72 21 96 107 83 59 102 102 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O H O O O O O H O O Tc Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">368</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.92 4.87 4.85 4.82 4.76 4.67 2.64 2.60 2.54 2.49 2.43 2.40 2.11 2.10 2.00 1.84 1.53 1.50 1.41 1.31 1.30 1.22 1.14 1.11 1.09 1.06 1.06 1.03 1.02 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x D:z2 D:z2 P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x D:xy P:x P:z P:z P:x P:x D:z2 D:z2 D:xz D:xz D:z2 D:z2 P:x D:z2 P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">53 11 6 80 94 87 91 77 99 24 79 94 53 75 87 80 79 103 77 51 56 24 99 9 7 10 7 13 8 82 19 91 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O W W O O O O O O O O O O O O O O Tc O O O O O W W W W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">369</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.05 4.02 3.69 3.64 3.09 2.83 2.81 2.67 2.40 2.36 2.32 2.27 2.23 2.20 2.18 2.01 1.99 1.91 1.51 1.40 1.29 1.25 1.23 1.18 1.14 1.14 1.14 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:z P:y P:z P:z P:x P:y P:z P:x P:z P:z P:z P:z P:z D:xy D:xy P:x D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">56 81 51 95 82 57 95 81 51 83 86 56 74 96 59 93 76 75 23 91 87 23 72 90 9 8 24 102 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O W W O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">370</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.89 4.87 4.86 4.84 4.53 4.53 2.55 2.54 2.32 2.31 2.29 2.28 2.02 2.01 1.82 1.82 1.62 1.61 1.44 1.42 1.18 1.17 1.17 1.12 1.11 1.11 1.11 1.07 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x D:z2 D:z2 P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y D:xz D:z2 D:z2 D:xz P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">32 65 1 14 34 67 29 62 67 34 33 66 25 60 65 32 54 43 97 35 33 66 38 2 16 3 15 29 62 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O W W O O O O O O O O O O O O O O O O O O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">371</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.21 4.19 3.63 3.62 3.39 3.38 3.35 3.34 2.36 2.36 2.29 2.28 2.11 2.00 1.99 1.98 1.88 1.86 1.71 1.68 1.66 1.66 1.37 1.36 1.25 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:y P:y P:y P:y P:y D:xy D:xy D:xy D:xy P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">30 37 27 61 35 97 43 54 17 4 3 16 28 26 25 60 98 36 45 41 29 62 33 66 60 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O W W W W 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">-12.352</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">372</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.28 3.10 3.09 3.08 2.60 2.56 2.55 2.30 2.03 2.01 2.00 1.98 1.84 1.82 1.78 1.77 1.76 1.68 1.68 1.66 1.66 1.64 1.63 1.46 1.42 1.37 1.37 1.24 1.21 1.21 1.20 1.17 1.17 1.10 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:z P:z P:x D:xy D:xy D:x2-y2 P:y P:y P:y P:y D:xy D:xy P:y P:y P:x D:xy P:z D:xy P:z P:y P:y P:x P:x D:yz D:yz P:x P:x P:x P:x P:z P:z D:xz D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">93 73 51 95 86 9 19 103 74 75 76 91 8 13 94 87 85 20 56 10 81 83 59 80 53 6 11 87 95 94 51 82 57 20 10 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O W W Tc O O O O W W O O O W O W O O O O O W W O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">373</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.73 4.69 4.02 3.99 2.37 2.35 1.96 1.94 1.67 1.65 1.64 1.64 1.61 1.53 1.52 1.39 1.33 1.32 1.29 1.28 1.27 1.27 1.26 1.25 1.25 1.25 1.25 1.18 1.18 1.11 1.10 1.10 1.06 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:x P:x P:x P:x D:x2-y2 P:y P:y P:y P:y D:yz D:yz D:xy D:xy D:xy D:x2-y2 D:xy P:y P:y D:z2 D:z2 P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">43 54 35 97 98 36 45 41 37 35 28 97 30 43 54 100 45 41 34 67 1 14 16 3 17 101 4 32 65 2 15 40 70 47 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O Tc O O O O W W W W W Tc W O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">374</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.06 4.15 3.44 3.37 3.36 2.78 2.22 2.19 2.02 2.01 2.00 1.99 1.79 1.77 1.74 1.73 1.65 1.64 1.60 1.48 1.47 1.45 1.44 1.35 1.34 1.23 1.22 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z D:z2 P:y P:y P:z D:yz D:yz P:y P:y P:z P:z D:yz D:yz D:z2 D:z2 P:z P:z D:x2-y2 P:y P:y D:xy D:xy P:y P:y P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">93 86 103 51 95 73 9 19 82 57 81 56 8 13 10 20 59 83 103 56 81 11 6 53 80 79 24 85 80 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O Tc O O O W W O O O O W W W W O O Tc O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">375</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.25 3.03 2.63 2.62 2.19 2.05 2.03 2.02 1.97 1.95 1.78 1.78 1.67 1.67 1.56 1.53 1.52 1.36 1.35 1.34 1.33 1.13 1.13 1.07 1.07 1.04 1.04 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:y P:y D:xz P:z P:x P:x D:yz D:yz D:yz D:yz P:z P:z P:z D:yz D:yz P:y P:y D:xy D:xy P:y P:y P:y P:y D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">86 93 57 82 103 85 95 51 6 11 9 19 58 63 73 8 13 94 87 7 12 53 80 77 99 103 7 12 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O Tc O O O W W W W O O O W W O O W W O O O O Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.129</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">376</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.70 3.89 2.90 2.88 2.55 2.34 2.34 1.61 1.60 1.60 1.60 1.59 1.59 1.59 1.58 1.33 1.33 1.24 1.12 1.12 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z D:yz D:yz P:z D:xy D:xy D:yz D:yz P:x P:x P:y P:y P:y P:y P:y P:y P:z P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">37 30 4 17 26 14 1 3 16 70 47 66 43 54 33 34 67 28 35 97 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W W O W W W W 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">-12.075</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">377</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.89 3.07 2.88 2.84 2.83 2.09 2.08 1.90 1.90 1.84 1.83 1.81 1.80 1.70 1.61 1.60 1.48 1.48 1.47 1.47 1.47 1.46 1.36 1.36 1.31 1.31 1.12 1.12 1.08 1.07 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:z D:yz D:yz D:yz D:yz P:z P:z P:y P:y P:y P:y P:z P:y P:y D:xy D:xy D:yz P:x P:x D:yz P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">30 37 28 3 16 1 14 47 70 36 98 25 60 26 32 65 2 15 4 35 97 17 62 29 41 45 2 15 5 18 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O W W W W O O O O O O O O O W W W O O W O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">378</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.29 5.31 4.13 2.96 2.95 2.84 2.50 2.15 2.12 1.83 1.79 1.78 1.70 1.69 1.59 1.57 1.54 1.39 1.39 1.30 1.29 1.19 1.18 1.05 1.05 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x D:xz P:z D:z2 D:z2 P:x P:z P:z P:z P:z D:xy D:xy P:z P:z P:x P:x P:x D:z2 D:z2 P:z P:z P:x P:x P:x P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">39 103 85 12 7 73 96 55 50 23 10 20 89 84 96 82 57 9 19 79 24 51 95 72 94 90 87 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O Tc O W W O O O O O W W O O O O O W W 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">-11.864</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">379</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.49 3.25 3.25 2.78 2.78 2.63 2.49 2.46 2.44 1.93 1.90 1.82 1.82 1.79 1.70 1.64 1.58 1.55 1.53 1.53 1.47 1.47 1.36 1.27 1.19 1.13 1.11 1.08 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy P:x P:x P:x P:x P:y P:z P:z P:y D:yz D:yz P:z D:z2 P:z D:z2 P:x D:xz P:y P:y D:xz P:x P:y P:y D:xy P:y P:y D:xy P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">103 50 55 57 82 77 58 63 99 6 11 91 11 75 6 77 12 76 74 7 99 87 94 13 53 23 8 80 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc O O O O O O O O W W O W O W O W O O W O O O W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">380</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.07 3.77 2.78 2.59 2.29 2.29 2.23 2.15 2.14 2.12 2.07 1.91 1.89 1.79 1.76 1.73 1.69 1.68 1.66 1.65 1.62 1.62 1.58 1.46 1.37 1.32 1.30 1.28 1.22 1.18 1.12 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:z2 P:x D:xy D:xy P:x P:x P:x D:xy P:x P:x D:xy P:z P:x P:z P:x P:y P:y P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x D:xy P:y D:yz D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.00 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">103 86 8 13 63 99 58 6 39 77 11 86 93 57 85 82 95 82 79 51 99 57 24 77 88 78 80 73 19 53 8 13 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">Tc O W W O O O W O O W O O O O O O O O O O O O O O O O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">381</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.35 3.34 3.02 3.01 2.95 2.94 2.42 2.42 1.92 1.92 1.91 1.90 1.63 1.63 1.59 1.58 1.41 1.41 1.36 1.35 1.34 1.34 1.29 1.29 1.21 1.15 1.15 1.05 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:yz D:yz P:z P:z P:y P:y P:y P:y P:z P:z D:xy D:xy D:xy D:xy P:y P:y P:z P:z P:z P:z P:y P:y D:xz D:xz P:y P:x P:x P:z D:xz P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">1 14 47 70 29 62 27 61 52 46 3 16 17 4 32 65 42 68 60 25 34 67 15 2 28 69 44 31 18 64 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W O O O O O O O O W W W W O O O O O O O O W W O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">382</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.85 4.28 4.25 2.66 2.35 2.35 1.96 1.83 1.83 1.82 1.80 1.61 1.58 1.49 1.47 1.34 1.32 1.28 1.26 1.23 1.22 1.22 1.22 1.19 1.17 1.07 1.05 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y D:xy P:z P:z P:y P:y P:y P:z P:z D:xy D:xy D:z2 D:z2 P:y P:y P:x P:x P:y P:y D:yz D:yz D:xy D:xy P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">23 24 79 103 72 90 73 58 63 78 88 6 11 9 19 55 50 63 58 76 74 11 6 9 19 57 82 55 50 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O Tc O O O O O O O W W W W O O O O O O W W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">383</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.89 3.65 3.64 2.96 2.67 2.66 2.63 2.62 2.43 2.42 2.16 2.16 1.92 1.91 1.49 1.48 1.46 1.46 1.42 1.41 1.31 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z D:z2 D:z2 D:xz P:x P:x P:z P:z P:x P:x P:y P:y D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x P:z P:z D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">73 10 20 103 92 48 76 74 95 51 84 89 8 13 19 9 88 78 51 95 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O W W Tc O O O O O O O O W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.785</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">384</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">11.06 3.35 3.35 2.66 2.66 2.59 2.58 2.10 2.09 2.06 2.05 1.79 1.78 1.62 1.55 1.55 1.55 1.55 1.42 1.41 1.29 1.29 1.22 1.22 1.22 1.21 1.11 1.11 1.08 1.07 1.07 1.03 1.01 1.00 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y D:xy D:xy P:x P:x D:z2 D:z2 P:x P:x P:x P:x P:y D:yz P:y P:y D:yz P:y P:y P:z P:z P:z P:z D:z2 D:z2 P:z P:z P:y P:z P:z D:xy P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">40 66 33 14 1 44 69 4 17 70 47 36 98 26 2 47 70 15 44 69 27 61 52 46 15 2 31 64 37 69 44 100 46 52 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O W W O O W W O O O O O W O O W O O O O O O W W O O O O O Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.783</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">385</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">12.00 2.76 2.75 2.16 2.15 2.14 2.14 2.14 2.10 1.65 1.64 1.51 1.50 1.41 1.41 1.29 1.28 1.28 1.27 1.26 1.25 1.16 1.16 1.15 1.10 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:x D:z2 P:y P:y D:z2 P:z P:z D:xy D:xy D:yz D:yz P:y P:y P:z P:x P:z P:x P:x P:x D:xz D:xz P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">96 89 84 13 63 58 8 76 74 6 11 10 20 99 77 89 83 84 59 63 58 19 9 86 85 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O W O O W O O W W W W O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.767</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">386</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.79 3.44 2.39 2.28 2.24 2.13 2.13 1.99 1.98 1.97 1.97 1.85 1.63 1.62 1.54 1.37 1.36 1.23 1.20 1.20 1.19 1.18 1.08 1.08 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:x P:z P:x D:z2 D:z2 P:z P:z P:z P:z P:x D:z2 D:z2 P:x P:y P:y P:z D:xy D:xy P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">28 26 26 73 28 5 18 44 49 71 69 40 15 2 38 67 34 85 18 5 32 65 71 49 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W W O O O O O W W O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">11.11 2.25 2.24 2.18 2.18 2.09 2.08 1.99 1.98 1.68 1.67 1.66 1.66 1.52 1.52 1.29 1.28 1.27 1.27 1.23 1.15 1.15 1.12 1.11 1.09 1.08 1.07 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z P:z P:x P:x P:z P:z P:y P:y P:z P:z D:z2 D:z2 P:y P:y D:z2 D:z2 D:yz D:yz P:y D:xy D:xy D:x2-y2 D:x2-y2 P:x P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">38 70 47 71 49 61 27 47 70 49 71 3 16 66 33 14 1 5 18 30 14 1 14 1 33 66 28 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O W W O O W W W W O W W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">388</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">4.62 4.21 2.49 2.48 2.45 2.17 2.16 2.05 2.04 1.84 1.76 1.75 1.74 1.74 1.50 1.48 1.48 1.48 1.46 1.45 1.45 1.44 1.42 1.42 1.41 1.30 1.29 1.29 1.28 1.26 1.25 1.14 1.14 1.11 1.09 1.08 1.04 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">P:z P:x D:xy D:xy P:x D:z2 D:z2 P:z P:z P:x P:y P:y P:y P:y P:y P:y D:xy D:xy P:x P:x P:y P:y P:z P:z D:z2 D:yz D:yz D:z2 P:x D:xy D:xy P:y P:y P:z P:y P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">26 37 4 17 30 5 18 41 45 26 33 66 29 62 45 41 3 16 68 42 42 68 67 34 100 17 4 101 28 18 5 98 36 37 97 35 47 70 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">O O W W O W W O O O O O O O O O W W O O O O O O Tc W W Tc O W W 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">-11.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">389</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.97 4.33 4.31 3.72 3.72 2.77 2.77 2.65 2.65 2.63 2.44 2.44 1.95 1.94 1.82 1.81 1.75 1.75 1.68 1.68 1.65 1.15 1.15 1.14 1.13 1.07 1.06 1.05 1.05 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:x P:z P:z P:x P:x D:yz D:yz P:z D:z2 D:z2 P:y P:y D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x P:x P:z P:z P:x P:x D:x2-y2 D:x2-y2 D:xy D:xy P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">28 31 64 27 61 68 42 3 16 30 15 2 69 44 4 17 16 3 35 97 30 35 97 54 43 17 4 3 16 65 32 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O W W O W W O O W W W W O O O O O O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.672</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">390</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.77 3.69 3.16 3.16 2.96 2.93 2.62 2.59 2.58 2.57 2.42 2.36 2.13 2.03 1.89 1.83 1.56 1.50 1.44 1.42 1.40 1.35 1.31 1.27 1.23 1.22 1.13 1.08 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z D:yz D:yz D:xy P:y P:y P:z P:y P:z D:xy D:xy P:y P:y P:y P:y P:x P:x P:x D:xy D:xy P:x P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">58 63 11 6 103 23 75 55 91 50 12 7 77 99 80 53 92 48 82 20 10 57 84 89 51 95 94 87 83 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O W W Tc O O O O O W W O O O O O O O W W 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">-11.659</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.58 5.32 3.67 3.66 3.58 3.56 2.41 2.39 1.99 1.92 1.92 1.92 1.91 1.86 1.70 1.67 1.62 1.57 1.37 1.24 1.20 1.18 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z D:yz P:y P:y D:yz P:y P:y P:y D:x2-y2 D:x2-y2 D:xz P:y D:xz D:x2-y2 D:x2-y2 P:x P:x D:xz P:y P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">86 85 8 55 50 13 56 81 88 7 12 7 78 12 8 13 88 78 103 87 55 94 50 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O W O O W O O O W W W O W W W O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.603</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">392</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.76 3.46 1.70 1.66 1.56 1.56 1.55 1.50 1.50 1.50 1.49 1.48 1.46 1.40 1.40 1.39 1.35 1.34 1.22 1.19 1.18 1.15 1.14 1.04 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z D:z2 P:y P:z P:y P:z P:z P:z P:z D:z2 D:z2 P:y P:y P:z P:y P:y D:x2-y2 D:xz D:xz P:y P:y D:yz D:yz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">39 93 73 103 48 37 92 94 75 87 91 19 9 79 24 26 89 84 103 20 10 71 49 9 19 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O Tc O O O O O O O W W O O O O O Tc W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">393</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.54 3.52 3.35 3.35 2.80 2.79 2.78 2.75 2.65 2.63 2.59 2.57 2.41 2.38 2.33 2.33 2.13 2.13 2.09 2.07 1.89 1.89 1.83 1.83 1.58 1.56 1.55 1.53 1.20 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:y P:y D:xy D:xy P:x P:x P:z P:z P:x P:x P:z P:z P:z P:z D:yz D:yz P:x P:x D:xy D:xy D:z2 D:z2 D:xz D:xz P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">71 49 25 60 15 2 69 44 70 47 45 41 60 25 69 44 14 1 98 36 5 18 18 5 15 2 62 29 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O W W O O O O O O O O O O W W O O W W W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">394</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.65 3.53 3.51 3.14 3.12 2.40 2.38 2.09 2.09 2.02 2.01 1.98 1.96 1.95 1.94 1.77 1.76 1.63 1.51 1.30 1.29 1.23 1.23 1.21 1.20 1.11 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:x P:x P:x P:x D:xz D:xz D:z2 D:z2 P:x P:x D:xz D:xz P:y P:y P:x P:z P:x P:x P:y P:y P:z P:z D:z2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">37 25 60 44 69 49 71 5 18 17 4 36 98 2 15 42 68 40 30 41 45 33 66 47 70 16 3 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W W W W O O W W O O O O O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.509</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">395</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">2.20 2.14 1.73 1.61 1.59 1.59 1.47 1.47 1.47 1.35 1.35 1.34 1.34 1.12 1.11 1.09 1.08 1.07 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:x P:z P:x P:x P:y P:y P:z P:y P:y P:y P:y D:xz D:xz P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">38 30 39 40 36 98 43 54 37 44 69 35 97 15 2 38 45 41 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">396</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.31 6.31 3.04 3.03 2.70 2.65 2.64 2.22 2.12 2.11 2.10 1.95 1.94 1.88 1.87 1.57 1.57 1.45 1.44 1.40 1.40 1.23 1.23 1.21 1.20 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x D:z2 D:z2 P:y P:z P:z D:xy P:z P:z P:y D:xz D:xz P:x P:x P:z P:z P:x P:x P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">48 92 9 19 85 74 76 103 51 95 86 20 10 51 95 75 91 59 83 89 84 9 19 63 58 94 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W W O O O Tc O O O W W O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">397</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.69 8.66 3.51 3.49 3.01 3.00 2.87 2.32 2.32 2.24 1.89 1.89 1.57 1.57 1.53 1.52 1.41 1.41 1.38 1.37 1.10 1.10 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:z P:z D:z2 D:z2 P:y P:x P:x P:y P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz D:z2 P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">42 68 27 61 4 17 28 54 43 30 31 64 47 70 17 4 54 43 17 4 3 35 97 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W W O O O O O O O O W W O O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.423</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">398</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.34 4.26 3.43 3.42 3.15 3.08 2.22 2.20 1.97 1.95 1.92 1.80 1.78 1.78 1.70 1.69 1.68 1.45 1.43 1.41 1.39 1.34 1.33 1.31 1.31 1.12 1.10 1.09 1.08 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:y P:y P:x P:x P:z P:z P:x D:xy D:xy D:z2 P:x P:x P:y P:x P:y P:x P:z P:x P:z P:z P:z P:y P:y P:y D:xy D:xy P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">24 79 77 99 86 85 99 77 93 13 8 103 73 56 82 81 57 80 53 53 80 94 87 79 24 83 19 9 59 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O W W Tc O O O O O O O O O O O O O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">399</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.39 6.28 5.12 3.22 3.20 3.01 2.96 2.49 2.16 2.15 2.10 2.01 1.96 1.89 1.68 1.66 1.65 1.63 1.61 1.55 1.55 1.38 1.35 1.32 1.27 1.25 1.22 1.16 1.13 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:y P:x P:x P:x P:x P:y D:xy D:xy P:x P:x P:y P:y D:z2 D:xz D:z2 D:xz P:y D:yz D:yz P:y P:y P:z P:x P:x P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">78 88 73 63 58 72 90 93 6 11 81 56 53 80 13 11 8 6 85 13 8 94 87 79 79 24 24 48 92 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O W W O O O O W W W W O W W 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">-11.400</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">400</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.24 6.22 3.87 3.21 3.20 2.94 2.94 2.23 2.08 2.07 1.96 1.70 1.70 1.70 1.69 1.65 1.64 1.64 1.64 1.63 1.61 1.47 1.46 1.35 1.34 1.33 1.33 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:x P:x P:x P:x P:y D:xy D:xy P:y P:x P:x D:yz D:yz D:xz D:xz P:y P:y D:z2 D:z2 P:y P:y P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">31 64 26 47 70 46 52 28 1 14 37 97 35 16 3 14 1 34 67 3 16 32 65 33 66 64 31 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W W O O O W W W W O O W W 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">-11.373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">401</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.28 4.16 3.94 2.65 2.64 2.45 2.44 2.21 2.20 1.87 1.87 1.78 1.74 1.72 1.66 1.59 1.58 1.55 1.55 1.50 1.49 1.26 1.13 1.13 1.13 1.13 1.10 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:y P:x P:y P:y P:x P:y P:y D:xy D:xy D:xy D:xy D:z2 P:x D:xy D:xy P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">28 39 26 66 33 41 45 62 29 29 62 37 98 36 30 33 66 18 5 15 2 101 43 4 17 54 34 67 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O W W W W Tc O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.317</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">402</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">20.89 2.60 1.42 1.29 1.28 1.23 1.01 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">P:x D:x2-y2 D:x2-y2 P:z P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">39 103 101 33 66 40 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O Tc Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">403</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.37 5.35 4.84 4.82 4.63 4.62 4.32 4.32 3.50 3.47 2.92 2.91 2.09 2.08 1.62 1.61 1.60 1.30 1.19 1.19 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:x P:z P:z P:z D:z2 P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">24 79 77 99 99 77 79 24 94 87 53 80 87 94 73 90 72 86 6 99 11 77</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 W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">404</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.16 7.36 5.48 3.99 3.87 3.37 3.28 3.10 3.07 2.75 2.73 2.66 2.57 2.56 1.47 1.43 1.25 1.23 1.23 1.19 1.18 1.18 1.15 1.13 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:z P:z P:z P:z P:x P:x P:x P:y P:x P:y P:y P:z P:z D:xy P:z D:xy P:z P:y P:y D:yz D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">73 85 93 79 24 77 99 53 80 94 86 87 74 76 84 89 20 72 10 90 90 72 8 13 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O W O W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">405</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.59 5.55 4.87 4.84 4.81 4.74 4.24 4.23 3.31 3.30 2.95 2.92 2.39 2.38 1.61 1.58 1.54 1.54 1.41 1.36 1.33 1.30 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">33 66 66 33 29 62 62 29 34 67 65 32 67 34 33 66 65 32 29 62 46 52 67 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-11.220</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">406</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">12.37 7.00 5.26 4.45 4.35 3.55 3.47 2.71 2.64 2.46 2.46 2.14 2.12 1.60 1.38 1.35 1.34 1.30 1.27 1.26 1.25 1.22 1.15 1.15 1.15 1.14 1.13 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:y P:z P:z P:z P:z P:x P:x D:yz D:yz P:y P:y P:x D:xy D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">28 30 26 62 29 32 65 66 33 27 61 34 67 37 69 44 52 46 68 42 4 17 52 46 62 15 2 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O W W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.12 10.92 8.30 6.44 2.64 2.63 2.00 1.98 1.77 1.76 1.58 1.57 1.50 1.48 1.17 1.16 1.03 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:x P:x D:xz D:xz P:y P:y P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">86 85 93 73 90 72 92 48 99 77 87 94 6 11 84 89 48 58 92 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">408</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">2.36 2.09 2.09 2.00 1.55 1.55 1.45 1.44 1.43 1.42 1.39 1.37 1.36 1.34 1.32 1.31 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:y P:x P:x P:x P:y D:z2 D:z2 P:y P:y P:y P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">40 44 69 40 44 69 89 15 2 84 49 71 73 96 38 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O W W 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">-11.189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">409</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.73 13.25 6.92 5.30 2.48 2.47 2.23 2.21 1.86 1.86 1.71 1.70 1.63 1.63 1.62 1.57 1.57 1.50 1.50 1.39 1.38 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x D:xz D:xz P:x P:y P:x P:y P:y P:y P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">26 37 30 28 66 33 67 34 46 52 1 14 31 38 64 69 44 49 71 33 66 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O W W 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">-11.183</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">410</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">2.93 2.15 1.59 1.56 1.56 1.52 1.49 1.47 1.47 1.35 1.34 1.34 1.30 1.29 1.17 1.14 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:z P:y P:y P:z P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">39 73 40 89 84 96 80 53 93 44 69 40 44 69 24 79 36 98</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">411</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.24 3.90 3.56 3.55 3.35 3.33 2.83 2.83 2.33 2.31 2.07 2.01 1.91 1.91 1.68 1.67 1.63 1.63 1.51 1.50 1.44 1.42 1.41 1.34 1.32 1.21 1.19 1.13 1.11 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy P:y P:x P:x P:x P:x P:z P:z D:xz D:xz P:y P:y P:z P:z P:x P:x P:z P:z D:xz D:xz D:xy P:y D:xy P:x P:x P:x P:x D:xy D:z2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">103 23 59 83 89 84 55 50 20 10 55 50 84 89 82 57 48 92 7 12 10 39 20 88 78 56 81 102 8 73 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc O O O O O O O W W O O O O O O O O W W W O W O O O O Tc W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.117</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">412</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">2.61 2.56 2.33 2.02 2.00 1.95 1.94 1.93 1.76 1.75 1.74 1.73 1.73 1.72 1.69 1.58 1.57 1.54 1.53 1.52 1.49 1.26 1.24 1.22 1.20 1.19 1.18 1.18 1.13 1.12 1.12 1.10 1.07 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:z P:z P:z P:x P:y P:y D:xz D:z2 P:y D:z2 P:y P:z P:z P:x P:x P:x P:y P:y P:z P:y P:y P:x P:x D:xz P:z D:xz P:y P:z P:z P:y P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">92 48 93 88 78 86 87 94 103 13 80 8 53 77 99 63 58 23 24 79 23 55 50 81 56 12 53 7 95 80 73 51 78 88 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O Tc W O W O O O O O O O O O O O O O W O W O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.100</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">413</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.46 2.46 2.46 2.44 2.33 2.32 2.27 2.23 1.98 1.98 1.97 1.95 1.82 1.80 1.74 1.70 1.65 1.62 1.60 1.48 1.43 1.31 1.28 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:x P:y P:x P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 91 75 91 76 74 80 53 63 94 58 87 77 99 57 82 24 73 79 83 59 82 57 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-11.096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.36 3.32 2.92 2.86 2.28 2.27 1.87 1.83 1.75 1.69 1.69 1.58 1.57 1.56 1.56 1.53 1.35 1.33 1.31 1.29 1.28 1.27 1.17 1.15 1.13 1.13 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:z P:z P:y P:x P:x P:z P:z D:xy D:xy P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">36 98 41 45 25 60 34 67 38 61 27 60 25 70 47 28 29 62 65 32 15 2 66 33 49 71 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.43 2.82 2.20 2.19 1.95 1.94 1.82 1.82 1.69 1.69 1.68 1.68 1.67 1.67 1.63 1.63 1.61 1.61 1.51 1.49 1.48 1.45 1.45 1.41 1.35 1.34 1.34 1.33 1.23 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:y P:y P:z P:z D:xy D:xy P:x P:x P:y P:y P:z P:z P:y D:xy P:y D:xy P:x P:y P:y D:xz D:xz P:z P:z D:xz D:xz P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">37 30 97 35 64 31 17 4 69 44 43 54 42 68 67 16 34 3 26 32 65 5 18 38 32 2 15 65 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O W W O O O O O O O W O W O O O W W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.26 6.25 3.11 2.25 2.24 2.17 1.84 1.84 1.64 1.55 1.55 1.53 1.53 1.52 1.52 1.50 1.44 1.38 1.22 1.22 1.18 1.17 1.14 1.14 1.14 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:z P:z P:x D:xz D:xz D:xz P:z P:z D:z2 D:z2 P:z P:x P:x P:x D:x2-y2 P:x P:x P:x P:x P:x D:z2 P:x D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">84 89 85 59 83 73 20 10 103 39 82 20 10 57 83 59 39 103 95 51 74 76 88 8 78 13 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O W W Tc O O W W O O O O Tc O O O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.56 3.55 3.13 3.13 2.53 2.53 2.03 2.03 1.92 1.92 1.92 1.91 1.87 1.86 1.73 1.73 1.56 1.56 1.53 1.52 1.25 1.25 1.22 1.22 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x D:xy D:xy D:xz D:xz P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:x P:x D:xz D:xz P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">45 41 49 71 5 18 2 15 44 42 69 68 49 71 60 25 32 65 36 98 18 5 44 69 27 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W W W O O O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.02 2.02 2.01 2.00 1.87 1.87 1.79 1.79 1.78 1.75 1.72 1.72 1.72 1.71 1.48 1.47 1.40 1.39 1.31 1.19 1.18 1.16 1.15 1.14 1.10 1.07 1.05 1.02 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:z P:z P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z D:z2 P:x P:z P:z D:z2 D:z2 P:x P:x P:x P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">54 41 45 43 99 77 49 71 58 63 94 87 83 59 36 98 97 35 103 28 56 81 6 11 83 59 82 41 57 45 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O Tc O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.997</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">2.11 2.09 1.98 1.97 1.89 1.89 1.72 1.71 1.61 1.61 1.54 1.52 1.52 1.51 1.48 1.48 1.35 1.34 1.32 1.23 1.21 1.16 1.14 1.07 1.05 1.05 1.04 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:y D:z2 P:y P:x P:x P:x P:x P:y P:y P:y P:z P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">45 41 98 36 54 43 41 45 35 97 56 81 99 77 94 87 58 103 63 71 49 83 59 83 59 36 30 98 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O Tc 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">-10.963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.30 2.27 2.10 2.02 1.81 1.78 1.76 1.75 1.51 1.49 1.48 1.48 1.32 1.31 1.24 1.24 1.19 1.18 1.18 1.17 1.15 1.15 1.14 1.13 1.13 1.12 1.11 1.10 1.10 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y D:z2 P:y D:z2 P:y P:x P:y P:y P:y P:x P:x D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">81 56 57 82 81 97 56 35 59 83 94 87 41 45 42 68 92 11 48 6 51 59 95 88 78 83 86 17 4 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O W O W O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">421</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">3.40 3.34 3.02 3.00 2.91 2.82 2.74 2.72 1.63 1.62 1.41 1.38 1.34 1.22 1.20 1.14 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">63 58 81 56 82 57 51 95 57 82 56 81 86 83 59 57 82 70</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.47 2.47 2.24 2.24 1.71 1.71 1.67 1.66 1.65 1.65 1.55 1.54 1.45 1.43 1.35 1.34 1.33 1.17 1.16 1.05 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:x P:x P:x P:x P:x D:z2 D:z2 P:x P:x P:x P:z P:z P:x P:z P:x P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">47 70 97 35 42 68 51 17 4 95 45 41 83 59 82 37 57 43 54 98 36 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W W 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">-10.924</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">423</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.80 4.77 3.06 3.04 2.42 2.39 2.12 2.11 1.90 1.88 1.62 1.59 1.36 1.34 1.34 1.33 1.32 1.30 1.28 1.28 1.26 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:y P:z P:y P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 47 41 45 97 35 43 54 36 98 43 54 35 97 44 45 69 41 44 69 63 58</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">-10.898</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">424</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.38 9.33 2.05 2.04 2.01 2.01 1.90 1.89 1.72 1.71 1.49 1.49 1.47 1.46 1.44 1.43 1.21 1.21 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:z P:z P:y P:y D:z2 D:z2 P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">47 70 31 64 58 63 1 14 68 42 42 68 66 33 29 62 31 64 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W W 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">-10.891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.76 3.75 3.74 3.73 2.77 2.71 2.66 2.46 2.41 2.36 2.33 2.32 2.24 2.07 2.00 1.99 1.67 1.67 1.57 1.55 1.46 1.45 1.45 1.45 1.43 1.43 1.29 1.17 1.15 1.12 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:x P:x P:x D:yz P:x P:x P:z P:z P:z P:z P:z P:z D:yz P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:z P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">74 75 76 91 102 78 88 83 59 51 95 88 78 103 83 59 81 56 95 51 48 81 89 56 92 84 63 92 58 48 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O Tc O O O O O O O O Tc 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">-10.885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">426</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.43 12.24 1.98 1.91 1.90 1.87 1.77 1.76 1.74 1.73 1.39 1.35 1.14 1.13 1.08 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:x P:x P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">58 63 78 48 88 92 84 89 11 6 57 82 50 55 24 79 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">427</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.57 4.55 2.74 2.74 2.61 2.61 1.92 1.91 1.74 1.74 1.71 1.71 1.61 1.61 1.49 1.49 1.48 1.48 1.48 1.45 1.38 1.37 1.36 1.35 1.33 1.33 1.24 1.24 1.23 1.23 1.23 1.21 1.15 1.13 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:x P:x P:x P:x P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x D:yz D:yz P:y P:y P:x P:x D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz P:z P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">64 31 60 25 42 68 42 68 68 42 31 64 27 61 35 97 49 71 101 100 35 97 43 54 16 3 43 54 16 3 31 64 54 43 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O Tc Tc O O O O W W O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">428</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.90 4.90 2.90 2.78 2.77 2.55 2.54 2.46 2.40 2.40 2.40 2.39 2.00 2.00 1.51 1.40 1.40 1.37 1.37 1.36 1.35 1.29 1.29 1.24 1.23 1.21 1.15 1.15 1.07 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:x P:x P:x D:z2 D:z2 P:x P:x D:x2-y2 P:x D:x2-y2 P:y P:y P:x P:z P:z P:z P:z P:x P:x P:y P:y D:z2 P:x D:z2 P:x P:x P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">47 70 37 65 32 14 1 30 34 1 67 14 41 45 26 66 33 62 29 62 29 98 36 101 28 100 66 33 68 35 42 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O W W O O W O W O O O O O O O O O O O Tc O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.811</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">429</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.71 3.62 2.42 2.25 2.20 2.18 2.17 2.16 2.08 2.03 1.98 1.88 1.75 1.64 1.63 1.60 1.57 1.57 1.54 1.51 1.49 1.47 1.38 1.36 1.35 1.32 1.30 1.30 1.25 1.14 1.12 1.12 1.09 1.08 1.08 1.07 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:x P:x P:y P:x P:z D:x2-y2 P:x P:y P:x D:x2-y2 P:x P:z P:y D:yz P:y P:y D:x2-y2 P:z D:yz P:y P:y P:x P:x P:x D:x2-y2 P:z P:y P:x P:y P:z P:z P:y D:x2-y2 D:x2-y2 P:y P:x P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">76 74 78 50 50 7 55 92 91 12 75 55 88 103 48 87 13 84 102 89 94 95 51 88 8 89 80 78 53 83 59 99 19 10 84 48 77 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O W O O O W O O O Tc O O W O Tc O O O O O W O O O O O O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.811</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.27 8.01 4.89 4.72 4.34 4.31 4.21 4.16 2.73 2.28 2.12 1.91 1.77 1.67 1.37 1.22 1.09 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y D:xy P:y D:xy P:y P:y P:y P:x P:z P:y P:z P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">63 58 88 50 55 6 78 11 84 89 48 86 85 92 86 90 55 89 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O W O W 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">-10.797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">431</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">5.44 5.44 4.05 4.04 2.50 2.49 2.15 2.13 1.78 1.78 1.77 1.77 1.38 1.37 1.34 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:z P:y P:y D:yz D:yz P:y P:y P:y P:y P:x P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">63 58 92 48 6 11 84 89 68 42 47 70 49 71 73 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O W W 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">-10.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">432</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.81 6.79 3.90 3.83 3.53 3.53 3.42 3.42 3.12 3.10 1.56 1.55 1.44 1.43 1.27 1.27 1.15 1.13 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:y P:y D:xy D:xy P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">47 70 31 64 1 14 69 44 71 49 63 58 42 68 46 52 30 28 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W W 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">-10.791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">433</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">7.42 7.40 3.58 3.53 3.27 3.24 3.20 2.90 1.40 1.37 1.33 1.25 1.18 1.17 1.13 1.09 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z D:yz D:yz P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z D:z2 P:z D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">70 47 1 14 68 42 31 64 64 31 97 35 52 46 3 30 16 28 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O W W O O O O O O O O O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">434</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.39 7.39 3.00 2.86 2.79 2.63 2.44 2.42 2.24 2.24 2.20 2.16 1.85 1.76 1.69 1.63 1.58 1.56 1.53 1.50 1.47 1.40 1.34 1.21 1.21 1.19 1.16 1.15 1.12 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:y P:z P:z P:y P:y P:y P:x P:y P:x P:y P:z P:z D:x2-y2 D:xy D:x2-y2 D:xy D:z2 D:yz D:z2 P:x P:x P:z P:y P:y P:y P:z D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">44 69 64 31 64 31 62 29 61 65 27 32 98 36 2 16 15 3 2 100 15 25 60 68 40 70 47 42 101 28 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O W W W W W Tc W O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.784</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">435</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.32 7.27 4.98 4.96 2.71 2.66 2.25 2.25 2.23 2.18 1.74 1.73 1.56 1.54 1.50 1.49 1.21 1.20 1.10 1.08 1.05 1.05 1.04 1.04 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y D:z2 D:z2 P:y P:y P:y P:y D:z2 D:z2 D:yz D:yz P:y P:z P:y P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">89 84 58 63 92 48 24 79 48 92 10 20 88 78 53 80 9 19 9 19 73 57 85 82 57 81 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O W W O O O O W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.86 4.86 4.78 4.71 3.42 3.41 2.87 2.87 2.30 2.29 1.98 1.82 1.59 1.56 1.55 1.47 1.45 1.45 1.43 1.17 1.16 1.13 1.12 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:z D:x2-y2 P:z D:x2-y2 D:z2 D:z2 D:yz D:yz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">70 47 49 71 42 68 66 33 67 34 26 37 45 41 38 68 5 42 18 5 18 4 17 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.757</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.94 5.92 5.04 5.03 2.45 2.43 2.38 2.37 2.36 2.34 1.95 1.94 1.86 1.85 1.85 1.84 1.58 1.58 1.43 1.42 1.19 1.19 1.18 1.15 1.15 1.13 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:z P:x P:x D:z2 D:z2 P:z P:z P:x P:x P:x D:z2 D:z2 P:x P:y P:y P:z P:z P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">78 88 55 50 76 74 13 8 48 92 91 75 95 12 7 51 77 99 84 89 88 58 63 78 59 83 94 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O W W O O O O O W W 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">-10.738</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.91 5.86 2.74 2.73 2.71 2.71 2.55 2.51 2.49 2.49 2.41 2.41 2.24 2.23 2.03 2.03 1.77 1.27 1.26 1.23 1.17 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:x P:y P:x P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x D:x2-y2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">75 91 74 57 76 82 78 88 83 59 95 51 56 81 92 48 39 92 48 93 102 23 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.729</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">439</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.44 6.42 4.83 4.82 4.57 4.55 3.58 3.56 2.37 2.37 2.19 2.19 2.06 2.06 1.94 1.87 1.78 1.77 1.65 1.65 1.38 1.38 1.25 1.25 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:z P:z P:x P:x P:z P:z P:x P:x D:z2 D:z2 P:z P:z D:yz D:yz D:z2 D:z2 P:z P:z P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">61 27 42 68 25 60 31 64 35 97 4 17 49 71 100 101 3 16 69 44 54 43 46 52 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O W W O O Tc Tc W W 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">-10.671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">440</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.36 4.29 3.74 3.72 2.88 2.85 2.28 2.26 2.14 2.13 2.00 1.98 1.90 1.88 1.61 1.61 1.40 1.39 1.34 1.30 1.24 1.24 1.23 1.21 1.16 1.15 1.15 1.13 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:z P:y P:y P:z P:z P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">68 42 60 25 31 64 35 97 36 98 49 71 49 71 71 49 31 64 38 39 69 45 41 44 54 43 68 42 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-10.656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.27 6.22 2.99 2.97 2.93 2.92 2.11 2.09 1.99 1.99 1.98 1.86 1.85 1.73 1.41 1.40 1.36 1.32 1.29 1.28 1.26 1.22 1.15 1.14 1.10 1.09 1.09 1.08 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:z P:z P:y P:y P:y P:y P:z P:z P:x P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">74 76 84 89 55 50 84 89 50 55 23 78 88 96 83 59 48 92 55 50 89 84 83 59 75 78 82 57 91 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-10.632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">442</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.06 8.06 5.43 5.37 2.68 2.63 2.34 2.33 2.19 2.18 1.97 1.95 1.95 1.92 1.74 1.73 1.55 1.53 1.45 1.43 1.26 1.26 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:y P:x P:y P:y P:y P:x P:x P:y P:y P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">92 48 88 78 50 55 89 84 88 78 48 89 92 84 50 55 89 84 92 48 88 78 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O 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">-10.623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.78 8.72 3.79 3.77 2.34 2.16 1.99 1.84 1.82 1.82 1.81 1.76 1.49 1.48 1.46 1.45 1.44 1.44 1.40 1.38 1.27 1.19 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:z P:z P:y P:x P:x P:y P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">27 61 60 25 49 71 69 36 98 44 98 36 41 45 45 41 45 41 98 36 49 71 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O 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">-10.618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.20 8.02 5.55 5.36 2.76 2.54 2.46 2.29 2.26 2.17 2.08 1.98 1.87 1.86 1.78 1.77 1.55 1.44 1.37 1.28 1.25 1.19 1.04 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:x P:x P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">64 31 42 68 71 49 44 69 42 68 44 69 71 64 31 49 44 69 64 31 42 68 40 27 61 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O 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">-10.536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">445</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.58 8.55 6.89 4.12 3.81 3.06 2.51 2.19 2.19 1.80 1.80 1.60 1.60 1.45 1.39 1.39 1.25 1.23 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x D:xz P:x P:z P:x P:z P:x P:x P:x P:x P:z P:z P:x P:x P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">92 48 103 96 39 23 96 88 78 72 90 48 92 21 81 56 50 55 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O Tc 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">-10.475</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">446</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.74 5.66 5.11 5.09 4.56 4.18 2.92 2.85 2.84 2.79 2.53 2.52 2.07 2.07 2.04 1.89 1.88 1.58 1.58 1.35 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:x P:x P:z P:z D:x2-y2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 47 69 44 40 40 22 42 68 38 64 31 31 64 22 49 71 52 46 100 52 46</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.458</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">447</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.61 8.55 6.07 6.01 4.78 3.89 3.88 2.77 2.15 2.04 1.92 1.91 1.88 1.88 1.71 1.71 1.31 1.20 1.14 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:y P:y P:z P:z D:xz D:z2 P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 11.931 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">63 58 89 84 96 50 55 23 55 50 92 48 90 72 90 72 103 105 85 39 103</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 Tc P O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">14.01 6.88 5.17 5.15 2.84 2.78 2.59 2.53 2.13 2.02 1.67 1.64 1.47 1.44 1.40 1.40 1.20 1.20 1.12 1.11 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy P:y P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y D:z2 D:z2 P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">103 39 50 55 48 92 78 88 84 89 50 55 9 19 91 75 82 57 78 88 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc O O O O O O O O O O O W W 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">-10.404</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">449</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.79 4.78 4.46 4.43 4.40 3.03 3.01 2.79 2.79 2.78 2.77 1.75 1.75 1.72 1.49 1.48 1.37 1.36 1.36 1.36 1.29 1.29 1.18 1.17 1.07 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:y P:x P:x D:yz D:yz P:z P:z D:xy D:xy P:z P:z P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">48 92 84 89 73 79 24 53 63 80 58 99 77 96 88 78 6 11 94 87 9 19 50 55 93 24 79 58 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O W W O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.62 7.61 5.36 4.62 4.60 4.52 4.50 3.86 3.84 2.17 2.17 1.96 1.95 1.95 1.94 1.85 1.84 1.50 1.50 1.38 1.37 1.35 1.35 1.34 1.26 1.25 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:z P:z P:z P:z P:y P:y D:yz D:yz P:z P:z P:x P:x D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:y P:z P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">31 64 28 47 70 44 69 69 44 14 1 29 62 70 47 2 15 15 2 70 30 29 62 47 32 65 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O W W O O O O W W W W 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">-10.390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">451</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.20 6.17 4.31 4.31 2.97 2.93 2.43 2.42 2.16 2.16 1.79 1.79 1.79 1.66 1.65 1.63 1.62 1.54 1.52 1.40 1.40 1.31 1.30 1.11 1.10 1.05 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:y D:xy D:xy P:x P:x P:x P:x P:z P:z D:yz D:yz P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">63 58 89 84 55 50 89 84 92 48 48 92 23 6 11 90 72 88 78 63 58 9 19 55 50 92 48 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O W W O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.42 7.01 4.31 4.22 4.11 3.99 2.67 2.60 2.00 1.95 1.89 1.83 1.68 1.65 1.59 1.58 1.50 1.46 1.42 1.40 1.37 1.37 1.33 1.29 1.17 1.16 1.16 1.14 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:x D:xz P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:z P:z P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">38 38 47 70 49 71 68 42 64 68 31 42 50 103 55 69 44 71 52 46 52 49 40 46 88 78 46 52 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O Tc O O O O O O O O O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.374</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.72 4.67 3.45 3.44 3.35 2.86 2.82 2.78 2.73 2.69 2.61 2.43 2.34 2.13 2.05 2.00 1.86 1.82 1.54 1.45 1.33 1.33 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">47 70 42 40 68 46 44 52 69 49 71 31 64 71 38 49 44 69 42 68 67 34 32 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-10.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.23 8.20 5.20 5.16 5.13 4.34 4.29 3.45 3.44 3.05 3.03 1.98 1.97 1.87 1.86 1.69 1.69 1.59 1.58 1.29 1.28 1.28 1.28 1.15 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z D:z2 D:z2 P:z P:z D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:yz D:xy D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">88 78 85 50 55 55 50 63 58 63 58 7 12 77 99 12 7 6 11 8 6 13 11 94 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O W W O O W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">455</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.14 9.13 5.58 4.45 4.43 4.15 4.10 3.53 3.51 2.70 2.69 1.90 1.90 1.73 1.72 1.67 1.67 1.64 1.64 1.32 1.32 1.30 1.30 1.12 1.11 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:z P:z D:yz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">42 68 26 71 49 49 71 70 47 47 70 66 33 5 18 5 18 14 1 4 17 34 67 1 14 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O W W W W W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">456</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.10 6.09 6.02 5.99 5.94 3.75 2.02 2.02 2.00 2.00 1.80 1.40 1.40 1.35 1.35 1.18 1.15 1.14 1.13 1.11 1.06 1.05 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:z P:z P:x P:z P:z P:x P:x D:xz P:x P:x P:x P:x P:y P:z P:z P:y D:x2-y2 P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">23 50 55 88 78 39 72 90 88 78 103 38 96 72 90 58 23 39 63 103 31 64 84 89 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O Tc O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.275</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.46 6.44 4.60 4.11 2.36 2.22 2.22 2.05 2.05 2.01 2.00 1.92 1.92 1.91 1.49 1.47 1.44 1.44 1.32 1.32 1.28 1.25 1.18 1.17 1.15 1.15 1.08 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:y P:x P:x P:y P:y P:z P:z P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y D:z2 D:z2 P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">89 84 96 73 85 90 72 50 55 80 53 78 88 23 94 87 99 77 79 24 88 78 92 48 20 10 82 57 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.253</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.82 6.78 5.23 4.12 2.63 2.61 2.61 1.95 1.95 1.94 1.94 1.94 1.94 1.93 1.92 1.57 1.56 1.46 1.44 1.28 1.21 1.19 1.19 1.09 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:z P:z P:y P:x P:x P:y P:y P:y P:y D:z2 D:z2 P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">44 69 28 40 26 32 65 33 62 66 29 68 34 67 42 46 52 71 49 38 37 2 15 36 98 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">6.82 6.78 5.20 5.20 4.65 4.61 2.98 2.97 2.65 2.65 2.27 2.24 1.31 1.28 1.28 1.25 1.24 1.17 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">64 31 46 52 42 68 49 71 70 47 69 44 97 35 69 44 100 42 68</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.68 9.68 5.22 3.97 3.97 3.08 3.06 2.79 2.78 2.59 2.59 2.50 1.41 1.40 1.38 1.37 1.26 1.12 1.11 1.10 1.07 1.06 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:y P:z P:z P:z P:z P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">49 71 38 44 69 47 70 46 52 64 31 26 31 64 41 45 40 36 98 71 49 49 71 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-10.160</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.62 8.87 5.90 4.56 2.81 2.80 2.28 2.20 2.19 1.86 1.69 1.68 1.51 1.51 1.49 1.47 1.46 1.44 1.39 1.38 1.12 1.12 1.11 1.10 1.09 1.09 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 P:x P:x D:x2-y2 P:y P:y P:z P:y P:y P:z P:z P:z P:x P:x P:z P:z P:z P:z D:z2 D:z2 P:z P:z P:z P:z P:x P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">103 85 93 103 75 91 93 74 76 85 99 77 53 80 57 82 91 75 6 11 72 90 59 83 86 58 63 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc O O Tc O O O O O O O O O O O O O O W W 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">-10.117</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">6.48 6.40 6.24 6.21 5.31 4.38 4.25 4.19 4.00 3.91 3.90 2.85 2.78 2.37 1.65 1.64 1.64 1.51 1.37</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:y P:y P:y P:y P:y P:y P:y D:xy P:y P:y P:y P:y P:y P:z P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">63 58 72 90 23 92 48 39 55 103 50 89 84 96 78 55 88 50 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O Tc O O O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.110</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.60 6.52 5.95 4.63 4.58 4.04 4.03 4.01 3.82 3.67 3.36 3.29 1.79 1.70 1.61 1.57 1.56 1.52 1.21 1.21 1.19 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:z D:xz P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:z D:z2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 11.931 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">48 92 39 96 103 72 50 90 55 23 84 89 58 63 50 84 55 89 78 103 105 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O Tc O O O O O O O O O O O O O O Tc P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.089</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">7.16 4.73 4.19 3.63 3.63 3.27 3.26 3.08 3.03 2.97 2.17 2.17 2.12 2.12 1.92 1.91 1.84 1.84 1.61 1.56 1.47 1.45 1.37 1.37 1.34 1.33 1.31 1.31 1.29 1.29 1.28 1.27 1.14 1.13 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y P:x P:x P:x P:x P:z P:z P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">85 86 73 99 77 24 79 63 58 93 94 87 88 78 53 80 94 87 48 92 99 77 74 76 87 94 92 48 77 50 55 99 24 79 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O 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">-10.077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="34">4.85 4.05 3.89 3.69 3.67 3.67 3.62 3.61 3.27 3.25 3.19 3.18 3.04 3.03 1.87 1.86 1.58 1.57 1.49 1.48 1.38 1.37 1.32 1.32 1.28 1.26 1.16 1.15 1.13 1.13 1.07 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">26 37 30 28 29 62 66 33 70 47 31 64 42 68 32 65 67 34 27 61 34 67 46 52 47 70 64 31 33 66 29 62 32 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-10.021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="33">4.64 3.82 3.68 3.48 3.48 3.24 3.03 3.02 2.98 2.97 2.70 2.68 2.63 2.61 1.81 1.80 1.77 1.76 1.73 1.73 1.67 1.65 1.53 1.51 1.17 1.16 1.16 1.14 1.04 1.04 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:y P:y P:x P:x P:y P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:z P:z P:y P:x P:x P:y P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">93 86 73 53 80 85 87 94 79 24 77 99 82 57 63 58 59 83 79 24 83 59 57 82 24 77 99 79 51 99 95 77 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O 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">-9.989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="40">4.15 4.15 4.14 3.71 3.62 3.26 3.25 2.65 2.55 2.54 2.27 2.26 2.10 2.09 2.00 1.99 1.83 1.83 1.69 1.68 1.66 1.64 1.63 1.63 1.56 1.55 1.26 1.25 1.17 1.16 1.12 1.12 1.11 1.11 1.07 1.07 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">P:x P:x P:y P:y P:y P:x P:x P:y P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y D:xy D:xy P:z P:z P:z P:z D:xy D:xy P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">34 67 37 30 26 65 32 28 66 33 62 29 98 36 45 41 33 66 41 45 36 98 62 29 47 70 33 66 15 2 42 68 64 31 18 5 29 62 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="13">29.15 6.66 5.01 4.48 4.47 4.18 2.43 1.75 1.75 1.72 1.72 1.51 1.51</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:z D:x2-y2 P:x P:x P:z D:xz P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">22 22 100 69 44 38 100 42 68 52 46 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O Tc O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="35">3.88 3.56 3.14 3.14 2.99 2.98 2.98 2.75 2.75 2.74 2.74 1.80 1.79 1.71 1.69 1.69 1.66 1.62 1.53 1.52 1.45 1.44 1.30 1.30 1.29 1.29 1.28 1.28 1.27 1.27 1.19 1.17 1.15 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x P:x P:x P:x P:x P:z P:y P:y P:x P:x P:z P:z P:z P:x P:x P:z P:x P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">21 93 57 82 76 74 23 59 83 81 56 84 89 39 78 88 86 73 95 51 51 95 63 58 90 72 55 50 91 75 77 99 85 75 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O 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">-9.862</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="32">3.13 3.12 2.82 2.82 2.70 2.69 2.53 2.50 2.49 2.46 2.45 2.32 2.31 2.30 1.95 1.94 1.85 1.85 1.84 1.83 1.83 1.82 1.55 1.55 1.54 1.54 1.54 1.54 1.51 1.49 1.43 1.43</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:z P:y P:y P:y P:y P:y P:z P:y P:z P:x P:x P:z P:x P:z P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">93 73 59 83 95 51 86 94 87 79 24 56 81 85 57 82 53 99 77 50 80 55 92 48 74 77 76 99 85 39 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-9.841</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="35">3.47 3.10 2.87 2.71 2.71 2.50 2.48 2.48 2.47 2.19 2.08 2.08 2.06 2.05 1.97 1.95 1.94 1.87 1.87 1.71 1.71 1.65 1.64 1.48 1.48 1.34 1.34 1.27 1.27 1.10 1.10 1.07 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:z P:y P:y P:y P:z P:y P:z P:x P:y P:y P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">30 28 26 67 34 62 54 29 43 37 66 33 36 98 22 32 65 49 71 61 27 97 35 66 33 31 64 41 45 60 25 61 27 67 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O 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">-9.838</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="42">5.11 5.02 2.96 2.92 2.77 2.70 2.69 2.65 2.64 2.63 2.61 2.06 2.04 2.00 1.98 1.94 1.88 1.69 1.67 1.64 1.60 1.56 1.53 1.44 1.32 1.31 1.28 1.25 1.19 1.16 1.16 1.14 1.12 1.10 1.10 1.09 1.07 1.07 1.07 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="42">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="42">P:x P:x P:z P:z P:z P:z P:z P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:z P:x P:x P:y P:y P:z P:y P:y P:x P:x P:z P:z P:x P:x P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="42">61 27 97 35 37 44 69 54 36 98 43 28 30 41 45 25 60 41 45 97 35 36 98 40 47 70 54 43 26 32 65 68 42 33 66 62 52 46 29 38 66 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">O O O O O O O O O O O O O O O O O O O O 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">-9.801</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="30">5.48 2.97 2.91 2.86 2.86 2.61 2.52 2.50 2.14 2.11 2.03 1.97 1.96 1.86 1.86 1.71 1.70 1.68 1.66 1.65 1.64 1.63 1.61 1.58 1.54 1.53 1.48 1.45 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z P:z P:y P:y D:xy P:y P:y P:z P:z D:xy P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:y P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">22 45 41 46 52 100 70 47 35 97 101 83 59 57 82 43 54 75 91 98 36 27 61 39 76 74 60 25 52 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O Tc O O O O Tc 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">-9.776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="19">4.11 4.11 3.57 3.57 3.24 3.23 3.08 2.97 2.66 2.61 2.58 2.58 2.56 2.55 2.51 2.47 1.79 1.73 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">59 83 57 82 91 75 45 41 36 98 76 74 60 25 27 61 39 22 81</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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</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="27">6.34 6.28 4.44 4.30 4.29 4.08 3.53 2.84 2.65 2.65 2.63 2.61 2.51 2.48 2.48 2.46 2.42 2.34 2.14 2.14 2.11 2.08 1.41 1.38 1.36 1.22 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y D:z2 P:y P:y P:x P:x D:z2 P:y P:y P:y P:y P:y P:z P:y P:z P:z P:z P:x P:y P:y P:x P:z P:z P:z D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">60 25 100 61 27 37 30 101 43 45 54 41 98 98 36 41 36 45 26 97 35 28 25 60 38 101 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O Tc O O O O Tc O O O O O O O O O O O O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.722</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.45 4.41 4.14 2.90 2.80 2.79 2.45 2.45 2.28 2.27 2.03 2.00 1.89 1.88 1.76 1.73 1.55 1.54 1.44 1.43 1.36 1.31 1.29 1.28 1.19 1.18 1.16 1.15 1.06 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z D:xy P:y P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">98 36 100 22 46 52 70 47 43 54 44 69 52 46 27 61 62 29 25 60 30 28 41 45 46 52 35 97 59 83 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O Tc O O O O O O 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">-9.678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">24.10 5.74 4.34 2.80 2.44 2.43 2.32 1.86 1.86 1.82 1.80 1.75 1.64 1.64 1.51 1.51 1.50 1.33 1.33 1.25 1.23 1.14 1.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:z P:z P:x P:x D:x2-y2 P:x P:x P:y P:y P:x P:x P:x P:x P:x D:xz P:z P:z P:z P:z P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">21 21 23 96 72 90 102 75 91 59 83 73 58 63 76 74 102 56 81 83 59 50 55 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O Tc O O O O O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">478</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.37 4.31 3.49 3.39 3.37 3.23 3.21 3.00 2.99 2.83 2.79 2.34 2.32 2.31 2.25 2.25 1.64 1.63 1.59 1.57 1.32 1.31 1.29 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:y P:y P:y P:x P:x P:y P:y P:y D:xy P:y P:z P:z P:z P:z P:x P:x P:x P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">72 90 39 90 72 84 89 58 63 21 102 96 48 92 95 51 59 83 90 72 93 56 81 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O Tc 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">-9.581</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.80 2.46 2.40 1.82 1.81 1.68 1.66 1.63 1.61 1.60 1.51 1.40 1.39 1.38 1.33 1.32 1.19 1.19 1.14 1.14 1.13 1.13 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:z P:y P:y P:x P:x D:xz P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">40 21 39 43 54 49 71 101 98 36 85 26 59 83 27 61 41 45 81 56 67 34 87 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O Tc 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">-9.551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">480</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.41 5.40 4.55 4.55 3.36 3.34 2.46 2.38 2.36 2.05 2.03 2.00 1.98 1.98 1.97 1.62 1.61 1.54 1.54 1.33 1.32 1.18 1.17 1.13 1.13 1.10 1.10 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:x P:x P:z P:z P:y P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y D:xy D:xy P:z P:z P:y P:y D:xy D:xy P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">56 81 74 76 95 51 96 53 80 51 95 77 90 72 99 83 59 9 19 94 87 82 57 8 13 79 94 24 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.526</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">481</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">2.03 1.79 1.77 1.71 1.71 1.39 1.38 1.38 1.38 1.36 1.35 1.34 1.33 1.18 1.18 1.17 1.16 1.16 1.16 1.15 1.10 1.08 1.06 1.06 1.06 1.05 1.04 1.03 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:x P:x P:y P:x P:z P:x P:y P:y P:x P:x P:x P:x P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 85 26 54 43 74 56 76 81 53 80 98 36 27 87 94 61 84 40 89 51 95 78 88 67 34 79 24 99 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-9.500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.89 4.88 4.62 4.61 4.24 4.22 2.34 2.32 2.07 2.05 1.87 1.86 1.78 1.76 1.75 1.74 1.67 1.66 1.60 1.59 1.48 1.48 1.47 1.44 1.34 1.33 1.09 1.09 1.09 1.08 1.04 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y P:x P:x D:xy D:xy P:x P:x P:z P:z D:xy D:xy P:y P:y P:z P:z P:y P:y P:x P:x P:y D:xy D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">43 54 27 61 97 35 29 62 66 33 97 35 65 32 3 16 34 67 34 67 4 17 43 54 65 32 36 98 97 35 40 15 2 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O W W O O O O W W O O O O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.25 6.04 5.76 2.97 2.85 2.71 2.71 2.69 2.43 2.40 2.39 2.28 1.87 1.74 1.71 1.69 1.63 1.62 1.55 1.54 1.38 1.35 1.17 1.17 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:x P:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:z P:z P:y P:y P:z P:z P:z P:z P:y P:y P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">40 38 22 52 46 70 40 47 21 69 44 38 37 28 49 71 35 97 98 36 54 43 45 41 30 100 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.68 6.69 6.55 3.65 3.13 3.08 2.32 2.31 1.93 1.93 1.85 1.83 1.82 1.81 1.68 1.65 1.55 1.55 1.41 1.40 1.19 1.12 1.09 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:x P:y P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x P:z P:z D:xy D:xy P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">38 46 52 22 49 71 44 69 31 64 42 68 72 90 42 68 45 41 52 46 101 100 40 23 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O Tc Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.444</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">21.84 7.79 4.61 3.79 2.85 2.83 2.66 2.55 2.30 2.30 2.06 2.05 1.68 1.68 1.42 1.41 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:z P:z P:x P:x P:x P:z P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">21 23 96 96 72 90 21 23 58 63 50 55 89 84 88 78 40</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 O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.37 5.44 5.42 2.12 1.90 1.89 1.77 1.76 1.71 1.69 1.69 1.47 1.47 1.42 1.42 1.39 1.25 1.25 1.08 1.08 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">23 72 90 96 75 91 48 92 86 74 76 81 56 78 88 38 55 50 6 11 92 48</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 W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">487</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.40 2.60 2.59 2.55 2.54 2.49 2.48 2.40 2.38 2.24 2.23 2.18 2.16 2.15 2.14 1.97 1.96 1.89 1.88 1.62 1.60 1.58 1.57 1.49 1.43 1.42 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y D:z2 D:z2 P:z P:z P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">23 81 56 6 11 72 90 74 76 51 95 91 75 83 59 57 82 75 91 90 72 76 74 38 90 72 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O W W 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">-9.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.48 4.48 3.93 3.91 3.67 3.66 3.22 3.20 3.01 2.99 2.96 2.95 2.60 2.60 2.27 2.27 1.82 1.81 1.77 1.77 1.54 1.54 1.50 1.50 1.36 1.36 1.04 1.04 1.03 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:y P:y D:z2 D:z2 P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x D:x2-y2 D:x2-y2 P:y P:x P:x P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">27 61 60 25 1 14 25 60 43 54 35 97 45 41 98 36 61 27 62 29 66 33 65 32 14 1 46 67 34 52 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O W W O O O O O O O O O O O O O O O O O O W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.84 4.78 4.74 4.74 2.64 2.51 2.42 2.42 1.82 1.82 1.74 1.74 1.74 1.40 1.39 1.38 1.37 1.19 1.19 1.08 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz P:z P:x P:x P:x P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:z P:z D:xz P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">101 39 45 41 30 38 82 57 71 49 26 25 60 69 44 45 41 97 35 103 65 97 35 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc O O O O O O O O O O O O O O O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.276</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">18.06 16.22 5.48 3.37 3.34 2.67 2.65 2.45 2.43 2.39 2.38 1.76 1.74 1.42 1.41 1.13 1.13 1.08 1.07 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y D:xy P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">40 22 100 52 46 68 42 46 52 54 43 68 42 69 44 35 97 44 69 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O Tc 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">-9.242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.31 4.94 4.32 4.30 4.24 3.62 3.48 3.43 3.40 3.09 2.78 2.78 2.47 2.47 2.47 2.45 2.07 2.06 1.78 1.76 1.63 1.63 1.62 1.59 1.39 1.37 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 P:y P:y P:x P:x P:x P:z P:z P:z P:x P:x P:x P:x P:y P:y P:x P:x D:x2-y2 D:x2-y2 P:x P:x P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">102 103 56 81 73 85 86 59 83 86 99 77 80 53 83 59 87 94 102 103 24 79 75 91 76 74 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc O O O O O O O O O O O O O O O O Tc Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.18 6.05 5.11 3.54 3.53 3.49 3.48 3.40 3.19 3.19 3.04 2.25 2.14 2.13 2.12 2.09 2.09 2.09 1.68 1.67 1.35 1.35 1.35 1.35 1.29 1.28 1.26</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:z P:x P:x P:y P:y P:z P:y P:y P:x D:xz P:y P:z P:y P:x P:z P:z P:x P:x P:x P:x P:z P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">26 22 28 98 36 33 66 22 32 65 28 100 34 30 67 37 67 34 43 54 33 66 25 60 62 29 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O Tc 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">-9.189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.66 6.73 6.11 6.08 4.13 4.13 4.11 3.87 3.85 3.55 3.53 2.58 2.57 2.24 1.98 1.75 1.73 1.43 1.17 1.14 1.11 1.11 1.05 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:y P:x P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">85 73 77 99 86 53 80 79 24 94 87 83 59 93 86 87 94 96 93 73 77 99 84 89 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-9.134</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.04 5.92 5.31 3.70 3.70 3.05 2.64 2.63 2.49 2.48 2.20 2.19 2.10 2.09 2.00 1.99 1.77 1.77 1.46 1.46 1.45 1.31 1.20 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y D:xy P:y P:x P:x P:y P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:y D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 101 39 45 41 23 71 49 46 52 57 82 64 31 64 31 97 35 97 35 40 103 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O Tc O O O O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">495</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.50 11.04 5.88 3.59 3.09 2.77 2.62 2.40 2.33 2.25 2.20 2.17 2.02 1.58 1.57 1.56 1.43 1.42 1.41 1.21 1.17 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y D:xy P:x P:z P:z P:z P:z P:y P:x P:z P:z P:x P:y P:x P:z P:z P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">96 21 102 59 81 56 72 59 77 78 89 78 81 59 56 88 91 88 84 90 89 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc 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">-9.112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.89 2.62 2.29 2.25 2.16 2.13 2.02 1.90 1.86 1.85 1.76 1.68 1.64 1.63 1.63 1.45 1.40 1.34 1.19 1.19 1.17 1.15 1.13 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:x P:y P:y P:y P:z P:y P:y P:x P:y P:z P:z P:x P:z D:xz P:z P:y P:x P:x P:z D:xy P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">83 75 82 96 21 29 83 62 99 22 24 39 26 57 28 100 90 83 86 24 91 102 53 22 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O Tc O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">497</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.76 2.52 2.46 2.32 2.24 2.23 2.10 2.08 1.87 1.77 1.75 1.63 1.44 1.43 1.42 1.41 1.35 1.33 1.32 1.32 1.32 1.31 1.28 1.24 1.24 1.07 1.05 1.04 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:x D:xz P:x P:x P:y P:y P:z P:y P:y P:z P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:z P:y P:y P:z D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">22 83 59 100 43 54 79 24 26 66 33 22 67 34 62 29 51 95 42 68 93 75 91 28 37 83 59 73 102 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O Tc O O O O O O O O O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.022</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">3.54 3.54 3.51 3.43 3.40 3.38 2.42 2.28 2.27 2.22 2.20 2.19 2.10 2.02 1.98 1.63 1.58 1.52 1.49 1.44 1.42 1.42 1.38 1.38 1.38 1.23 1.20 1.18 1.16 1.15 1.15 1.11 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:z P:y P:y P:y P:x P:y P:x P:x P:x P:x P:x P:z P:y P:y P:x P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">99 77 85 94 87 86 96 72 90 55 50 95 51 99 77 83 59 57 83 82 59 84 58 63 89 76 79 24 80 74 53 93 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-9.016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.41 7.30 4.36 4.31 3.62 3.52 3.46 3.44 2.20 2.12 2.04 2.00 1.94 1.89 1.86 1.81 1.80 1.80 1.75 1.72 1.67 1.65 1.64 1.64 1.63 1.58 1.58 1.57 1.37 1.37 1.35 1.28 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:y P:z P:y P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">74 76 51 95 59 83 82 57 59 83 51 95 56 81 24 91 79 75 82 57 78 76 88 74 77 92 48 99 90 72 21 91 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O 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">-8.996</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">500</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.67 4.65 4.57 4.55 3.30 3.25 3.24 3.20 2.87 2.85 2.59 2.52 2.35 2.33 2.27 2.24 1.70 1.70 1.64 1.56 1.50 1.23 1.16 1.16 1.14 1.09 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:z P:z P:y P:y P:z P:x P:x P:z D:z2 P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">32 65 29 62 54 52 46 43 33 66 36 98 67 34 29 62 54 43 30 36 98 38 101 62 29 42 68 26 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">501</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">7.09 7.01 4.37 4.31 2.81 2.77 2.73 2.72 2.61 2.52 2.27 2.27 2.14 2.11 2.01 2.01 1.87 1.82 1.61 1.59 1.58 1.57 1.57 1.54 1.50 1.49 1.38 1.37 1.37 1.35 1.09 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:x P:z P:x P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">27 61 43 54 98 36 31 64 62 29 41 45 33 66 52 46 98 36 68 42 41 35 97 45 61 27 97 60 35 25 25 60 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">502</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">3.95 3.91 2.99 2.98 2.90 2.61 2.61 2.48 2.47 2.41 2.40 2.23 2.22 2.21 2.20 2.09 1.97 1.94 1.94 1.91 1.89 1.74 1.74 1.64 1.63 1.53 1.25 1.25 1.20 1.20 1.19 1.19 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:y P:y D:z2 P:y P:y P:z P:z P:z P:z P:x P:y P:y P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">66 33 27 61 28 54 43 35 97 67 34 62 29 36 98 30 97 35 100 45 41 25 60 33 66 37 32 65 41 45 36 43 54 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O Tc 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">-8.928</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">9.10 3.59 3.50 3.05 2.94 2.92 2.53 2.52 2.10 2.09 2.02 2.01 1.91 1.75 1.75 1.72 1.69 1.65 1.65 1.64 1.45 1.44 1.43 1.40 1.19 1.18 1.18 1.12 1.12 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:x P:z P:z P:z P:x P:x P:z P:z P:z P:z P:x P:x P:x P:y P:y P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">85 93 73 23 74 76 56 81 59 83 24 79 21 80 53 94 87 73 90 72 55 50 76 74 91 93 75 72 90 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-8.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">504</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.96 5.13 4.42 4.40 4.38 4.08 3.59 2.75 2.51 2.46 2.29 2.21 2.20 2.06 2.06 1.35 1.34 1.33 1.33 1.33 1.32 1.24 1.23 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:z P:z P:x P:z P:x P:z P:x D:z2 D:z2 P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">26 28 41 45 37 37 28 30 30 101 100 70 47 35 97 36 98 97 35 52 46 54 43 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O Tc Tc 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">-8.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.86 6.83 3.59 2.14 2.09 1.87 1.79 1.75 1.71 1.62 1.60 1.59 1.46 1.41 1.39 1.31 1.27 1.26 1.25 1.22 1.22 1.19 1.17 1.17 1.14 1.13 1.10 1.09 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:y P:y P:x P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x P:y P:z P:z P:z P:y P:z P:z P:z P:z P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">28 26 30 69 44 37 71 49 39 47 70 73 27 61 81 56 25 40 69 44 60 81 56 46 98 52 36 37 28 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">506</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.38 3.23 3.20 2.61 2.60 2.45 2.15 2.14 1.86 1.82 1.79 1.78 1.69 1.63 1.58 1.56 1.53 1.53 1.52 1.31 1.27 1.19 1.17 1.14 1.12 1.11 1.10 1.09 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:x P:y P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z P:y P:x P:y P:x P:y P:y P:y P:y P:y P:y P:y P:x P:y P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">21 82 57 90 72 39 75 91 36 98 80 53 25 60 22 45 24 41 79 92 48 56 81 95 51 79 89 84 24 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">507</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.24 4.11 4.08 3.42 3.22 3.19 2.76 1.93 1.91 1.65 1.65 1.63 1.48 1.47 1.47 1.46 1.38 1.37 1.31 1.28 1.26 1.22 1.21 1.20 1.16 1.13 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z P:x P:x P:z P:y P:y P:x P:x P:x P:z P:z P:z P:z P:y P:y P:z D:z2 D:xz P:x P:z P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">73 56 81 93 56 81 26 24 79 86 88 78 58 63 89 84 89 84 28 102 102 93 76 74 30 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O Tc Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">508</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.46 3.45 3.32 2.36 2.35 1.93 1.92 1.65 1.64 1.56 1.56 1.50 1.48 1.44 1.43 1.35 1.33 1.30 1.23 1.23 1.18 1.17 1.13 1.12 1.10 1.10 1.09 1.09 1.07 1.06 1.06 1.04 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x P:y P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x P:y P:x P:x P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">98 36 22 46 52 60 25 34 67 49 71 33 66 90 72 43 54 21 51 95 52 46 91 75 49 71 42 68 32 65 35 97 43 54 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">11.30 10.89 3.08 2.96 2.80 2.76 2.75 2.71 2.63 2.54 1.84 1.84 1.81 1.80 1.79 1.78 1.76 1.73 1.52 1.52 1.49 1.45 1.33 1.32 1.31 1.30 1.10 1.09 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:y P:y P:x P:y P:x P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">63 58 94 87 55 51 50 95 53 80 56 24 79 92 81 24 79 48 57 55 82 50 89 87 94 84 75 91 89 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.09 7.03 5.42 5.40 4.92 4.89 3.74 3.73 3.37 3.35 2.19 2.19 1.95 1.95 1.93 1.68 1.66 1.62 1.61 1.40 1.13 1.13 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">70 47 66 33 65 32 69 44 42 68 33 66 22 69 44 98 36 54 43 40 65 32 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O 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">-8.674</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.62 7.97 6.97 6.78 4.11 4.04 2.99 2.84 2.60 2.35 2.30 2.21 1.99 1.68 1.58 1.51 1.42 1.29 1.28 1.27 1.22 1.21 1.18 1.16 1.14 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:y P:z P:y P:x P:y P:z P:z P:x P:z P:z P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">58 63 86 93 87 94 94 87 92 48 80 53 80 85 53 88 77 77 76 78 95 74 99 51 92 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-8.671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.51 7.99 5.61 5.35 4.21 4.02 3.17 3.04 2.81 2.53 2.28 2.24 2.20 2.18 1.97 1.65 1.63 1.60 1.51 1.37 1.32 1.12 1.10 1.09 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:y P:x P:x P:x P:y P:x P:x P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">99 77 79 24 78 88 63 58 48 92 90 72 99 77 96 21 53 81 56 78 80 88 89 79 48 23 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-8.640</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">513</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.17 8.70 6.78 6.52 3.45 3.39 3.14 3.12 3.08 3.02 2.47 2.24 1.94 1.91 1.88 1.80 1.66 1.65 1.61 1.55 1.15 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 47 30 37 65 32 65 32 67 34 67 34 68 31 42 64 69 44 61 27 71 49</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">-8.635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.36 9.11 5.03 4.88 4.81 4.45 3.07 2.92 2.90 2.83 2.69 2.35 2.35 2.34 2.33 1.97 1.97 1.89 1.86 1.25 1.19 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:z P:y P:y P:z P:y P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">29 62 47 64 31 70 34 29 62 67 38 47 52 70 46 35 66 97 33 49 71 41 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O 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">-8.613</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.30 5.86 4.55 4.49 2.90 2.50 2.43 2.20 1.90 1.87 1.74 1.72 1.51 1.50 1.43 1.41 1.23 1.18 1.16 1.14 1.13 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:y P:y P:z P:z P:x P:z P:y P:y P:x P:x P:z P:z P:y P:y P:z P:z P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">39 73 48 92 85 93 93 28 64 31 24 79 75 91 84 89 30 26 86 69 44 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O 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">-8.563</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.69 7.37 7.32 6.64 3.25 3.24 2.93 2.87 2.24 2.24 2.23 2.23 2.12 2.08 2.08 2.07 2.05 2.03 1.72 1.69 1.63 1.37 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:y P:z P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:z P:x P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">85 88 78 86 50 55 84 89 99 77 83 59 78 88 73 58 23 63 83 59 96 86 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O 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">-8.548</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.48 3.31 3.13 2.69 2.67 2.65 2.64 2.39 2.27 2.26 2.26 2.21 2.20 1.84 1.83 1.80 1.78 1.77 1.62 1.59 1.53 1.34 1.32 1.23 1.22 1.18 1.12 1.12 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:z P:y P:y P:y P:y P:z P:y P:y P:y P:y P:z P:y P:z P:z P:y P:x P:y P:y P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">93 86 93 31 64 48 92 86 55 50 89 84 85 53 30 28 80 73 88 78 85 68 42 70 47 63 50 55 58 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.540</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.56 3.55 3.50 3.50 3.49 3.04 2.66 2.62 2.60 2.59 2.57 1.86 1.74 1.74 1.67 1.60 1.52 1.52 1.43 1.40 1.39 1.23 1.20 1.19 1.19 1.13 1.08 1.07 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:y P:y P:y P:y P:x P:x P:x P:y P:y P:z P:x P:x P:x P:z P:x P:x P:x P:y P:y P:z P:z P:x P:x P:z P:y P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 89 84 42 68 85 70 47 64 31 37 37 79 24 30 30 77 99 55 50 86 89 73 86 84 53 69 44 80 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">11.34 4.93 3.79 3.70 2.64 2.44 2.42 2.05 2.04 1.80 1.69 1.66 1.63 1.61 1.58 1.46 1.46 1.29 1.24 1.22 1.16 1.16 1.13 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:y P:x P:z P:z P:y P:y P:x P:x P:x P:z P:x P:x P:x P:x P:z P:y P:y P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">26 30 49 71 28 60 25 31 64 30 49 71 73 69 44 66 33 40 66 33 68 42 39 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-8.523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.91 6.79 6.73 4.10 3.48 3.48 2.76 2.74 2.35 2.32 2.18 2.15 2.08 2.06 1.93 1.93 1.51 1.49 1.41 1.36 1.35 1.27 1.13 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:y P:z P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">28 69 44 37 37 26 49 71 68 42 32 65 44 69 29 62 67 34 28 44 69 73 33 66 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-8.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">521</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.92 12.52 8.70 8.55 7.92 7.76 3.01 2.96 2.57 2.55 1.97 1.96 1.87 1.83 1.12 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">63 58 94 87 53 80 50 55 84 89 80 53 87 94 94 87 55</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 O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">522</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">12.67 12.66 10.20 10.15 7.88 7.84 3.29 3.16 2.51 2.48 2.27 2.26 1.97 1.93 1.65 1.62 1.26 1.25 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">47 70 67 34 65 32 71 49 69 44 67 34 65 32 71 49 34 67 38</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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.51 4.45 4.11 3.83 3.83 3.42 3.32 3.19 3.00 2.79 2.71 2.59 2.34 2.33 2.31 2.30 2.05 2.00 1.96 1.74 1.67 1.64 1.60 1.56 1.51 1.35 1.34</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:y P:x P:x P:x P:x P:x P:x P:y P:z P:z P:x P:x P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">59 83 23 57 82 56 81 72 90 96 55 50 50 95 51 55 48 92 94 87 48 92 79 39 24 82 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-8.487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.42 6.01 3.92 3.73 3.57 2.90 2.80 2.58 2.58 2.46 2.40 2.08 2.02 1.78 1.63 1.57 1.46 1.22 1.22 1.22 1.15 1.13 1.12 1.08 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:x P:y P:z P:y P:z P:x P:x P:y P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">58 63 80 86 53 86 87 37 87 94 94 80 53 93 85 84 89 68 42 90 47 70 37 72 50 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-8.472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.47 5.10 5.03 5.01 3.54 3.45 2.48 2.47 2.34 2.25 2.22 2.00 1.99 1.82 1.75 1.69 1.58 1.57 1.56 1.55 1.45 1.23 1.20 1.20 1.14 1.14 1.13 1.10 1.09 1.07 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:x P:x P:y P:y P:y P:y P:x P:y P:y P:x P:x P:x P:x P:x P:y P:x P:x P:y P:x P:x P:x P:x P:z P:y P:z P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">37 47 37 70 34 67 32 65 30 68 42 34 67 58 63 93 71 32 65 49 26 86 46 52 93 87 40 68 42 80 94 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-8.449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">526</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">14.37 5.77 5.76 5.01 4.98 4.51 2.61 2.60 2.58 2.57 2.22 2.21 1.95 1.94 1.90 1.90 1.78 1.78 1.32 1.31 1.30 1.07 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:x P:x P:x P:y P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">22 36 98 44 69 40 41 45 44 69 33 66 97 35 61 27 46 52 38 36 98 25 60 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-8.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.61 3.32 2.83 2.82 2.78 2.48 2.15 2.07 2.04 1.56 1.55 1.49 1.47 1.46 1.45 1.43 1.43 1.43 1.39 1.38 1.31 1.25 1.23 1.17 1.15 1.15 1.14 1.11 1.09 1.07 1.07 1.06 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:x P:z P:z P:z P:z P:x P:y P:y P:z P:z P:y P:y P:y P:y P:x P:y P:y P:z P:z P:x P:z P:z P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">39 30 76 74 30 86 93 64 31 27 61 78 88 92 48 73 55 50 24 79 28 63 58 87 94 55 50 49 71 24 79 67 34 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">21.74 8.59 8.56 3.76 3.19 3.13 2.94 2.94 1.50 1.49 1.45 1.42 1.32 1.31 1.23 1.21 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:x P:x P:y P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">22 54 43 39 68 42 45 41 49 71 68 42 54 43 51 95 46 52</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">10.11 3.96 3.93 3.33 3.27 3.21 3.14 2.90 2.79 2.69 2.66 2.50 2.23 2.21 1.79 1.72 1.70 1.61 1.60 1.59 1.59 1.57 1.57 1.13 1.13 1.11 1.10 1.09 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:x P:y P:y P:x P:x P:z P:z P:z P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">93 95 51 48 92 55 50 91 75 92 48 86 56 81 23 73 91 75 24 79 23 99 77 94 87 92 48 82 57 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.370</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">530</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.02 3.42 3.37 3.36 3.36 3.13 3.11 2.48 2.48 2.22 2.20 2.12 2.12 1.91 1.91 1.89 1.88 1.87 1.79 1.66 1.49 1.46 1.43 1.35 1.33 1.30 1.30 1.19 1.18 1.13 1.11 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:x P:z P:z P:x P:z P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">37 54 43 66 33 44 69 29 62 98 36 30 26 68 25 30 42 60 28 28 68 42 40 44 69 65 32 98 36 97 35 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O 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">-8.368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.02 10.83 7.29 7.03 6.96 6.88 4.60 4.58 2.83 2.74 2.30 2.27 1.73 1.71 1.36 1.31</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:y P:x P:x P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">91 75 89 84 91 75 55 50 89 84 58 63 55 50 22 21</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">-8.358</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.62 4.58 2.11 2.10 2.06 2.01 2.00 1.74 1.74 1.53 1.53 1.52 1.45 1.45 1.41 1.40 1.37 1.37 1.35 1.28 1.26 1.17 1.16 1.15 1.15 1.12 1.12 1.06 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:x P:x P:z P:z P:z P:y P:y P:y P:z P:y P:y P:y P:x P:x P:z P:z P:z P:y P:y P:z P:y P:x P:y P:y P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">27 61 42 68 93 63 58 48 92 64 30 31 78 88 31 64 47 70 73 50 55 85 84 26 89 49 71 78 91 88 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-8.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.47 6.41 5.52 5.45 5.40 5.37 2.09 2.06 2.06 2.04 2.04 2.01 1.66 1.65 1.55 1.54 1.52 1.29 1.28 1.25 1.22 1.13 1.13 1.11 1.09 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:x P:x P:z P:z P:x P:x P:y P:z P:z P:y P:y P:y P:x P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">74 76 82 57 83 59 75 57 82 91 88 78 91 75 92 48 22 59 83 87 94 80 81 53 60 56 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-8.342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">534</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.16 8.13 6.37 6.34 6.25 6.24 2.98 2.65 2.60 2.36 2.36 1.72 1.69 1.37 1.34 1.18 1.17 1.15 1.15 1.09 1.07 1.04 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:x P:y P:x P:y P:x P:x P:z P:z P:y P:y P:z P:z P:z P:y P:z P:z P:z P:x P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 60 25 49 60 71 22 44 69 49 71 74 76 70 47 76 91 69 44 74 88 75 39 78 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O 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">-8.339</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">10.75 10.48 6.04 5.82 2.73 2.67 2.64 2.34 2.30 2.19 2.14 2.12 2.01 1.96 1.68 1.50 1.41 1.38 1.36 1.28 1.26 1.23 1.20 1.11 1.11 1.06 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:z P:z P:x P:x P:x P:z P:x P:z P:x P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">75 91 84 89 84 89 93 81 56 50 50 55 55 86 73 75 59 94 87 83 91 53 80 59 83 58 80 63 53 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">19.87 5.81 4.76 3.44 3.07 2.18 2.13 2.03 1.99 1.88 1.83 1.61 1.61 1.53 1.36 1.36 1.36 1.17 1.10 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x P:z P:z P:z P:x P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:x P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">76 78 78 72 91 92 27 86 57 75 95 59 92 81 77 39 42 60 59 74 79</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.324</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">19.96 5.83 4.78 3.39 3.13 2.19 2.16 2.00 1.96 1.84 1.72 1.61 1.59 1.53 1.37 1.36 1.36 1.21 1.09 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x P:z P:z P:z P:x P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:y P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">74 88 88 90 75 48 61 86 82 51 91 48 83 56 68 99 39 25 83 76 24</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">538</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.23 9.96 7.08 6.90 4.55 2.95 2.88 2.86 2.83 2.79 2.52 2.45 2.31 2.21 2.02 1.91 1.87 1.85 1.72 1.55 1.53 1.22 1.20 1.14 1.13 1.10 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x P:x P:z P:z P:z P:x P:z P:x P:x P:x P:y P:y P:z P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">60 25 71 49 30 71 49 69 38 44 35 97 60 25 26 37 45 41 38 64 31 45 41 31 64 69 44 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-8.301</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">539</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.27 6.17 4.40 4.35 3.82 3.81 3.66 3.66 2.93 2.93 2.43 2.38 1.97 1.96 1.81 1.67 1.66 1.47 1.46 1.44 1.36 1.36 1.25 1.22 1.17 1.11 1.02 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:y P:y P:x P:x P:z P:z P:y P:y P:z P:z P:y P:x P:x P:y P:z P:z P:z P:z P:z P:z P:x P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">27 61 31 64 27 61 42 68 76 74 41 45 46 52 38 92 48 39 64 31 91 75 68 42 41 45 97 98 36 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O 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">-8.276</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">540</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">6.43 3.68 3.39 2.65 2.64 2.60 2.57 2.46 2.44 2.43 2.35 2.35 2.15 2.10 1.85 1.84 1.70 1.65 1.50 1.49 1.46 1.45 1.40 1.39 1.34 1.29 1.13 1.12 1.09 1.05 1.04 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:z P:z P:z P:z P:z P:z P:y P:z P:z P:y P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">39 37 28 97 36 35 98 61 61 27 27 26 41 45 42 68 54 43 54 43 47 70 68 42 25 60 69 44 36 66 92 48 33 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O 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">-8.272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">541</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.48 8.38 7.36 4.73 4.67 3.81 3.73 3.69 3.36 3.34 2.62 1.32 1.29 1.22 1.21 1.12 1.11 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:z P:x P:x P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">61 27 39 64 31 30 64 31 97 35 28 68 42 32 65 33 66 48 92</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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.41 4.33 4.25 3.98 3.95 3.82 3.77 3.25 3.17 2.57 2.21 2.18 1.93 1.89 1.75 1.75 1.74 1.72 1.71 1.70 1.70 1.68 1.54 1.51 1.34 1.30 1.23 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:x P:x P:z P:x P:z P:z P:z P:x P:x P:x P:z P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">39 98 36 35 97 45 41 27 61 22 60 25 31 64 45 51 60 41 25 95 48 92 98 36 43 54 35 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-8.192</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">13.32 4.39 4.34 4.14 4.08 3.85 3.84 3.09 3.08 2.68 2.66 2.62 2.61 2.55 2.51 2.34 2.30 1.61 1.58 1.46 1.45 1.32 1.30 1.22 1.22 1.20 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">39 35 97 64 31 35 97 60 25 98 36 45 41 61 27 95 51 48 92 43 54 27 61 25 31 60 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-8.076</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">544</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">42.42 4.51 4.49 3.41 3.38 2.69 2.67 2.58 2.54 1.43 1.41 1.34 1.34 1.24 1.23 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">21 81 56 56 81 59 83 51 95 95 51 74 76 78 88 84 89</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 O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.068</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">15.17 4.48 4.45 4.08 4.03 3.21 3.17 2.91 2.89 2.75 2.73 2.04 1.99 1.92 1.91 1.80 1.79 1.65 1.64 1.46 1.44 1.31 1.30 1.26 1.25 1.24 1.23 1.14 1.13 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:x P:y P:y P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">21 81 56 51 95 81 56 88 78 95 51 24 79 57 82 79 24 94 87 24 79 83 59 58 63 83 59 77 99 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O 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">-8.048</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">546</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.28 4.20 3.82 3.79 3.72 3.69 3.63 3.63 3.00 2.99 2.54 2.53 2.41 2.35 2.26 2.22 2.15 2.01 1.87 1.44 1.41 1.41 1.33 1.33 1.17 1.16 1.16 1.14 1.14 1.13 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">53 80 94 87 79 24 77 99 87 94 53 80 79 24 77 99 85 73 93 86 32 65 34 67 59 33 66 62 29 83 67 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-8.007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">547</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.74 3.72 3.66 3.65 3.63 3.61 3.58 3.11 3.10 2.99 2.98 2.48 2.34 2.31 2.18 2.18 2.00 1.99 1.95 1.86 1.86 1.70 1.47 1.29 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">32 65 34 67 62 29 39 33 66 67 34 26 62 29 32 65 66 33 30 45 41 28 37 85 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-8.001</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">548</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.48 4.44 4.31 4.29 3.42 3.40 2.51 2.50 2.49 2.49 2.47 2.47 2.31 2.28 2.21 2.19 2.11 2.09 1.96 1.93 1.86 1.86 1.76 1.76 1.56 1.56 1.39 1.39 1.39 1.38 1.25 1.25 1.11 1.10 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:x P:z P:z P:x P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">35 97 43 54 97 35 54 32 65 43 98 36 65 32 33 66 29 62 34 67 41 45 66 33 62 29 62 70 47 29 98 36 97 35 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O 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">-7.950</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">549</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.86 7.78 6.42 6.37 6.31 6.31 6.08 5.96 4.70 4.65 4.64 4.57 3.58 3.55 2.45 2.42 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:y P:x P:y P:x P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">83 59 87 56 94 81 80 53 99 77 24 79 82 57 51 95 87 94</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">550</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.23 6.29 5.55 5.52 5.40 5.14 5.10 4.17 4.13 3.62 3.62 3.52 2.55 2.53 2.34 2.08 2.01 2.00 1.81 1.81 1.71 1.53 1.53 1.48 1.47 1.29 1.27 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:z P:z P:x P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:x P:x P:x P:y P:y P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">85 86 81 56 93 59 83 95 51 57 82 86 56 81 73 93 51 95 74 76 73 83 59 75 91 82 57 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-7.902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">551</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.75 11.60 11.53 9.12 9.11 8.43 7.64 5.81 1.44 1.40 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">P:x P:y P:y P:y P:y P:x P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">73 76 74 91 75 93 86 85 91 75 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-7.896</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">552</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.57 6.55 5.79 5.78 5.53 5.51 5.47 5.46 5.17 5.17 5.03 5.03 4.54 4.53 4.46 4.44 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">67 34 41 45 33 66 36 98 54 43 65 32 97 35 29 62 67 34</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">553</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">12.64 11.66 10.73 10.66 9.91 9.91 8.52 8.05 1.59 1.57</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:x P:x P:y P:y P:y P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">28 26 61 27 25 60 30 37 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-7.824</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">554</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.08 8.95 7.13 7.04 5.33 5.33 4.32 4.31 4.18 4.12 3.67 3.66 2.32 2.29 2.26 2.24 1.87 1.87 1.67 1.64 1.53 1.52 1.51 1.47 1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">74 76 75 91 99 77 53 80 76 74 91 75 79 24 87 94 53 80 85 73 99 77 93 86 51 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-7.805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">555</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.59 6.31 6.07 5.55 5.50 5.47 5.17 5.13 4.62 4.61 4.60 4.59 3.32 2.70 2.58 2.58 2.57 2.51 1.95 1.93 1.93 1.71 1.67 1.66 1.61 1.57</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:z P:z P:x P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:x P:x P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 30 26 97 35 28 45 41 43 54 36 98 37 30 43 35 97 54 26 61 27 98 36 45 41 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O 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">-7.792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">556</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.11 10.00 7.18 7.15 4.16 4.13 3.55 3.54 2.90 2.89 2.89 2.89 2.69 2.69 2.36 2.35 1.95 1.93 1.82 1.73 1.54 1.53 1.13 1.12 1.08 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">27 61 60 25 61 27 25 60 66 33 62 29 65 32 34 67 54 43 37 26 28 30 41 45 35 97 41 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O 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">-7.656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">557</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.18 6.15 4.12 4.10 3.87 3.85 3.55 3.52 3.33 3.28 3.28 3.27 2.99 2.98 2.92 2.90 2.66 2.66 2.64 2.61 2.58 2.58 1.87 1.84 1.52 1.50 1.32 1.32 1.17 1.15 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">56 81 24 79 59 83 24 79 81 56 77 99 99 77 80 53 87 94 83 59 87 94 51 95 80 53 95 51 57 82 77 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-7.608</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">558</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.90 3.86 3.82 3.79 3.77 3.76 3.64 3.64 3.50 3.48 3.15 3.14 3.11 3.11 3.09 3.08 2.87 2.85 2.50 2.50 2.49 2.49 2.43 2.41 2.26 2.26 1.96 1.96 1.89 1.89 1.86 1.86</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">43 54 35 97 29 62 29 62 33 66 33 66 32 65 34 67 41 45 35 97 34 67 36 98 45 41 43 54 32 65 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O 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">-7.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">559</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">10.99 10.98 10.14 9.56 5.45 5.43 5.23 4.42 2.26 1.71 1.69 1.52 1.50 1.46 1.43 1.24 1.24 1.23 1.23 1.17 1.16 1.07 1.06 1.05 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">74 76 86 73 75 91 93 85 86 91 75 56 81 59 83 59 83 81 56 53 80 79 24 79 24 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O 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">-7.508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">560</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.83 10.79 8.01 7.87 7.46 7.05 5.32 5.30 1.66 1.63 1.63 1.26 1.11 1.10 1.10 1.09 1.08 1.07 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">61 27 37 30 28 26 60 25 37 25 60 30 43 54 65 32 35 97 62 29</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">-6.509</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">561</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">30.93 11.16 6.68 6.62 4.37 4.35 4.18 3.28 3.23 2.63 2.62 2.60 1.81 1.55 1.40 1.38 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:z2 D:x2-y2 P:y P:y P:z P:z P:x P:z P:z P:y P:y P:x D:z2 D:xz P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">103 103 82 57 95 51 85 57 82 51 95 93 103 103 39 85 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc O O O O O O O O O O Tc Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.402</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">562</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">40.50 11.08 4.30 3.98 3.26 3.16 2.94 2.94 2.58 2.53 1.68 1.48 1.21 1.14 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:xz P:z P:y P:y P:z D:x2-y2 P:x P:z P:x D:xz P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">103 39 51 95 82 103 82 57 57 103 51 95 51 50 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc O O O O Tc O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">563</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">43.06 15.54 3.15 2.93 2.92 2.91 2.56 2.21 1.91 1.66 1.62 1.53 1.38 1.33 1.32 1.25 1.15 1.12 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xy P:y P:z P:x D:xy P:z P:x D:xy P:z P:y P:z P:x P:y P:x P:y P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">103 39 95 57 101 51 82 103 57 95 82 95 57 51 51 82 55 92 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc O O O Tc O O Tc 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">-5.478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">564</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">62.99 3.60 2.44 2.43 2.04 2.03 2.02 2.00 1.84 1.55 1.30 1.29 1.16 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:xz D:z2 P:x P:x P:x P:x P:z P:z D:xz P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">100 100 43 54 98 36 43 54 100 22 98 36 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.319</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">565</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">67.98 8.29 1.24 1.23 1.05 1.05 1.02 1.00</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">D:xy P:y P:z P:z P:x P:x D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.00 1.33 1.33 1.33 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">100 22 54 43 36 98 100 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Tc O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">566</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">17.70 9.12 8.25 6.18 6.18 1.91 1.89 1.89 1.84 1.83 1.83 1.83 1.58 1.48 1.16 1.16 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:z2 D:x2-y2 D:z2 D:z2 D:z2 P:x D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:x2-y2 D:xz P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.00 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">100 100 101 1 14 28 14 1 15 2 17 4 101 101 61 27 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc Tc W W O W W W W W W Tc Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">567</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">23.36 14.86 6.70 5.19 3.95 2.26 2.04 2.02 1.85 1.54 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:x2-y2 D:xz D:z2 D:x2-y2 D:z2 D:xz D:z2 D:z2 P:x S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -6.750 -6.750 -4.411 -4.411 -10.027 -26.921 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 1.00 1.00 1.00 1.00 0.80 0.80 1.33 2.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">103 101 103 101 102 103 6 11 39 39 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc Tc Tc Tc Tc W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.801</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">568</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">21.10 7.77 4.45 4.08 4.05 3.59 2.86 2.84 2.66 2.42 2.39 2.11 2.00 1.28 1.28 1.28 1.28 1.22 1.22 1.06 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:x2-y2 D:xz D:z2 D:z2 D:x2-y2 D:xy D:xy P:x D:xy D:xy D:z2 P:x D:x2-y2 D:yz D:yz D:x2-y2 D:xz D:xz D:z2 D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.00 0.80 0.80 1.00 0.80 0.80 1.33 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">102 102 101 6 11 103 13 8 73 20 10 103 86 6 8 13 11 10 20 13 8 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc Tc W W Tc W W O W W Tc O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">569</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">19.99 10.00 8.68 6.76 3.13 2.55 2.51 2.41 2.36 2.18 1.65 1.29 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:z2 D:z2 D:x2-y2 D:x2-y2 P:x D:xy D:xy D:xy D:xy P:x P:x P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">101 100 101 100 26 3 16 5 18 30 28 37 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc Tc O W W W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">570</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.07 6.03 5.26 5.25 4.07 4.06 3.59 3.56 2.49 2.44 2.42 2.39 1.90 1.89 1.72 1.70 1.59 1.58 1.33 1.31 1.23 1.21 1.19 1.19 1.19 1.18 1.07 1.05 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz D:xz D:xz D:z2 D:z2 P:y P:y P:y P:y D:z2 D:z2 D:z2 D:z2 P:y P:y D:z2 D:z2 D:yz D:yz P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 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 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">12 7 10 20 9 19 8 13 10 20 7 12 7 12 82 57 83 59 10 20 19 9 51 95 13 8 9 19 56 81 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W W W O O O O W W W W O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">571</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.91 5.85 5.85 5.80 3.82 3.79 3.77 3.75 2.50 2.49 2.35 2.34 1.74 1.73 1.71 1.70 1.61 1.61 1.39 1.38 1.19 1.18 1.14 1.14 1.13 1.11 1.10 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz D:xz D:xz D:z2 D:z2 P:y P:y P:y P:y D:z2 D:z2 P:y P:y D:yz D:yz D:z2 D:z2 D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 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 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">18 5 15 2 16 3 17 4 2 15 5 18 18 5 41 45 36 98 15 2 35 97 4 17 16 3 17 4 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W O O O O W W O O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.501</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">572</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">63.13 4.53 2.24 2.14 1.55 1.52 1.02 1.00</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">D:xz D:z2 D:z2 D:z2 P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.00 1.00 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">102 102 8 13 88 78 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Tc Tc W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">573</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">11.83 11.74 5.49 4.72 4.72 1.96 1.95 1.89 1.87 1.86 1.85 1.74 1.71 1.68 1.64 1.63 1.52 1.42 1.38 1.33 1.32 1.28 1.26 1.23 1.21 1.21 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:xy D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:y P:y D:xz D:xy D:xz D:xy D:z2 D:z2 P:y P:y D:xy D:xy P:z P:z P:y D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">6 11 102 6 11 7 12 74 75 76 91 10 20 20 10 13 8 59 83 8 13 91 75 81 9 56 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W Tc W W W W O O O O W W W W W W O O W W O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.452</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">574</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">12.46 12.45 4.97 4.96 2.12 2.12 2.02 2.01 2.00 2.00 1.92 1.91 1.83 1.82 1.81 1.47 1.47 1.27 1.27 1.27 1.26 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:y P:y D:xy D:xy D:xy D:xy D:xy D:xz D:xz P:z P:y P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">14 1 14 1 15 2 60 25 27 61 18 5 4 17 101 5 18 25 45 60 41 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W O O O O W W W W Tc W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">575</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">14.99 5.05 5.05 3.87 3.87 2.89 2.87 2.50 2.48 2.42 1.58 1.57 1.56 1.51 1.50 1.44 1.42 1.10 1.10 1.08 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:yz D:yz D:xy P:z P:z P:y D:xz D:xz D:xz D:xz D:x2-y2 P:y D:x2-y2 P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">102 13 8 19 9 12 7 8 13 101 81 56 21 10 20 7 12 13 56 8 81 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W W W W W W W Tc O O O W W W W W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.323</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">576</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">44.00 4.71 3.79 3.79 1.72 1.71 1.51 1.51 1.46 1.46 1.25 1.23 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:xy P:y D:xy D:xy D:z2 D:z2 P:z P:z D:xy D:xy D:z2 D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">102 21 10 20 13 8 59 83 9 19 19 9 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc O W W W W O O W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">577</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.71 5.29 5.27 3.58 3.56 2.89 2.89 2.16 2.15 1.99 1.71 1.71 1.57 1.56 1.47 1.46 1.21 1.20 1.14 1.13 1.07 1.07 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:yz D:yz P:y P:z P:z D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 P:y P:y D:xy D:yz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">101 3 16 4 17 15 2 3 16 39 97 35 5 18 2 15 16 3 35 97 18 4 5 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc W W W W W W W W O O O W W W W W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.252</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">578</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">41.44 6.87 3.47 3.46 2.04 2.02 1.65 1.64 1.59 1.59 1.59 1.43 1.43 1.13 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xy P:y D:xy D:xy D:z2 D:z2 P:z P:z D:xy D:yz D:xy D:xy D:xy D:z2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">101 39 18 5 3 16 45 41 4 101 17 2 15 17 4 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc O W W W W O O W Tc W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">579</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">31.02 11.71 9.68 7.87 3.06 1.84 1.84 1.45 1.44 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:xz D:x2-y2 P:z D:z2 D:x2-y2 D:z2 D:z2 P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 1.33 1.00 1.00 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">101 101 39 101 103 16 3 64 31 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc O Tc Tc W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">580</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.82 9.79 7.68 4.34 4.31 4.09 3.99 2.71 2.71 1.87 1.87 1.82 1.82 1.82 1.79 1.67 1.10 1.08 1.07 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xy P:x P:x P:x D:xy P:x D:xy D:z2 P:x P:x P:z P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 0.80 0.80 1.00 1.00 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">11 6 102 11 6 101 102 9 19 99 77 80 12 53 7 103 85 93 99 77 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc W W Tc Tc W W O O O W O W Tc O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">581</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">14.41 9.89 9.88 9.22 5.09 5.09 3.52 2.91 1.22 1.22 1.13 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:x2-y2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 0.80 0.80 1.00 0.80 0.80 1.00 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">100 1 14 101 1 14 101 100 29 62 67 34 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc W W Tc W W Tc Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">582</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.70 10.59 4.84 4.80 3.45 3.44 2.76 2.76 2.30 2.29 2.05 2.03 1.81 1.80 1.74 1.70 1.59 1.57 1.52 1.51 1.49 1.49 1.43 1.43 1.31 1.31 1.09 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:xy P:x P:x D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:y P:y D:xy D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">6 11 63 58 7 12 10 20 7 12 88 78 50 55 8 13 13 8 10 20 8 13 84 89 48 92 9 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W O O W W W W W W O O O O W W W W W W W W O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">583</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">10.80 10.77 4.88 4.86 3.23 3.22 3.12 3.12 1.99 1.99 1.79 1.78 1.77 1.77 1.67 1.66 1.61 1.60 1.53 1.53 1.45 1.45 1.38 1.37 1.27 1.26 1.26 1.25 1.16 1.16 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xy D:xy P:x P:x D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:y P:y P:y P:y D:xy D:xy D:yz D:yz D:yz D:z2 D:yz D:z2 D:xy D:xy D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">14 1 70 47 2 15 5 18 18 5 15 2 42 68 71 49 69 44 31 64 4 17 4 17 3 17 16 4 3 16 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W O O W W W W W W W W O O O O O O O O W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">584</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.52 9.39 4.70 4.66 3.85 3.85 2.62 2.61 2.10 2.09 1.94 1.93 1.73 1.72 1.64 1.64 1.63 1.63 1.45 1.45 1.38 1.37 1.36 1.33 1.22 1.22 1.05 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:yz P:z P:z D:z2 D:z2 D:z2 D:z2 P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy D:xy P:y P:y D:xy P:y P:y D:z2 P:y P:y D:z2 D:x2-y2 D:x2-y2 D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">6 11 63 58 10 20 12 7 84 89 20 10 8 13 9 48 92 19 50 55 11 88 78 6 12 7 9 19 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W O O W W W W O O W W W W W O O W O O W O O W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.830</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">585</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">9.36 9.36 4.68 4.68 3.75 3.75 3.10 3.10 1.98 1.97 1.91 1.90 1.81 1.80 1.68 1.67 1.52 1.52 1.52 1.52 1.43 1.43 1.37 1.36 1.36 1.34 1.11 1.10 1.04 1.04 1.04 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">D:yz D:yz P:z P:z D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:y P:y D:xy D:xy D:z2 D:xy D:xy D:z2 D:yz D:yz D:z2 D:z2 D:yz D:z2 D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">1 14 70 47 15 2 18 5 15 2 69 44 18 5 71 49 31 42 64 68 4 17 14 3 16 1 3 16 16 17 4 3 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W O O W W W W W W O O W W O O O O O O W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">586</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">11.03 4.37 4.35 3.65 3.63 3.49 1.87 1.86 1.70 1.69 1.67 1.66 1.57 1.55 1.44 1.42 1.40 1.38 1.35 1.33 1.32 1.31 1.31 1.31 1.30 1.30 1.09 1.08 1.06 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:yz D:xy D:xy D:xy D:xy D:yz D:xy D:xy P:y P:y P:y P:y D:z2 D:z2 D:xz D:xz D:z2 D:z2 D:yz D:yz P:z P:z D:xz D:x2-y2 D:xz D:x2-y2 D:yz D:yz D:yz D:xz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">103 20 10 12 7 102 8 13 75 91 74 76 13 8 13 8 19 9 8 13 57 82 19 7 9 12 12 7 9 10 19 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc W W W W Tc W W O O O O W W W W W W W W O O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">587</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.88 4.84 3.85 3.82 2.41 2.39 2.35 2.25 2.22 2.18 2.06 2.05 1.97 1.79 1.77 1.76 1.76 1.74 1.57 1.55 1.40 1.38 1.38 1.37 1.36 1.35 1.32 1.32 1.29 1.28 1.13 1.11 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">D:xy D:xy D:xy D:xy D:xy D:xy P:x D:z2 D:z2 P:x D:xy D:xy P:x D:z2 D:z2 D:xz P:x D:xz D:yz D:yz D:yz D:yz D:xz D:xz D:xz D:xz D:yz D:yz D:yz D:yz D:xz D:xz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">9 19 8 13 12 7 85 7 12 73 10 20 93 10 20 19 86 9 12 7 20 10 13 8 7 12 9 19 8 13 10 20 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W O W W O W W O W W W O W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.679</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">588</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">5.16 4.60 4.34 3.83 2.46 2.26 2.18 2.18 2.05 2.03 1.95 1.90 1.89 1.87 1.85 1.85 1.79 1.78 1.67 1.57 1.53 1.42 1.38 1.36 1.25 1.25 1.20 1.18 1.12 1.11 1.10 1.05 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:xy D:xy D:xy D:xy D:xy P:x D:xz D:xy P:x D:z2 P:x P:x D:z2 D:xy D:xz D:z2 D:z2 D:yz D:xz D:xy D:yz D:yz D:xz D:z2 D:yz D:yz D:xz D:yz D:z2 D:xz D:xz D:z2 D:yz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">3 16 17 4 5 26 3 15 30 5 37 28 15 18 16 18 2 5 17 2 18 17 4 17 15 3 15 4 4 14 1 3 2 16 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W O W W O W O O W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.676</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">589</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.33 4.86 4.74 4.66 4.57 4.25 2.09 2.09 2.07 2.06 2.06 1.91 1.81 1.76 1.52 1.52 1.48 1.46 1.40 1.38 1.34 1.34 1.27 1.25 1.21 1.20 1.19 1.11 1.09 1.09 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xy D:xy D:xy D:yz D:yz D:xy P:y P:y D:xy P:y P:y D:xy D:xz D:z2 D:z2 D:xy D:xz D:xz D:xy D:xz D:yz D:z2 D:yz D:yz D:xz D:xz D:xz D:z2 D:yz D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 1.00 1.00 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">2 18 15 101 100 5 27 61 16 60 25 4 16 16 3 3 4 3 17 18 4 4 18 16 17 2 5 17 2 17 3 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W Tc Tc W O O W O O W W W W W W W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.535</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">590</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">12.75 12.71 5.03 5.02 3.43 3.41 3.40 2.71 2.69 2.10 2.08 1.45 1.44</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:xy D:xy P:x P:x D:xz D:xz D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">0.80 0.80 1.33 1.33 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">6 11 58 63 20 10 102 12 7 12 7 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">W W O O W W Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.527</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">591</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">12.90 12.82 5.03 5.02 3.60 3.58 3.10 3.09 1.83 1.82 1.71 1.69 1.48 1.38</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:xy D:xy P:x P:x D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">1 14 47 70 2 15 5 18 5 18 2 15 101 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">W W O O W W W W W W W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">592</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.39 4.33 3.55 3.49 2.87 2.83 2.81 2.80 2.71 2.66 2.49 2.46 2.46 2.40 2.30 2.25 2.10 2.09 2.07 2.06 1.78 1.75 1.74 1.72 1.51 1.47 1.26 1.24 1.08 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:z2 D:z2 D:z2 D:yz D:xy D:yz D:xy D:yz D:yz P:y D:z2 P:y D:z2 D:x2-y2 D:x2-y2 D:xy P:y D:xy P:y D:z2 P:y D:z2 P:y D:x2-y2 D:x2-y2 P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">12 7 20 10 8 8 13 13 9 19 88 13 78 8 12 7 9 48 19 92 19 50 9 55 20 10 84 89 78 55 88 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W O W O W W W W O W O W O W O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.462</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">593</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.23 4.21 3.65 3.64 2.88 2.86 2.71 2.69 2.66 2.64 2.44 2.42 2.31 2.30 2.23 2.18 2.18 2.17 2.12 2.06 2.00 1.99 1.67 1.66 1.59 1.57 1.36 1.35 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:yz D:xy D:xy P:y P:y D:xy D:xy D:z2 P:y P:y D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">5 18 2 15 4 17 3 16 17 4 68 42 16 3 16 64 31 3 17 4 5 18 15 2 49 71 44 69 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W O O W W W O O W W W W W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">594</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">15.57 15.41 6.73 6.73 2.21 2.12 1.66 1.63 1.27 1.25 1.25 1.24 1.14 1.09 1.07 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:yz D:yz P:z P:z D:z2 D:z2 D:z2 D:z2 D:z2 D:yz D:z2 D:yz D:xy D:xy P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 4.727 -4.411 4.727 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 11 63 58 11 6 7 12 10 6 20 11 13 8 55 50 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W O O W W W W W W W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.431</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">595</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">15.35 15.23 6.71 6.71 2.61 2.57 1.48 1.45 1.36 1.33 1.27 1.24 1.22 1.21 1.16 1.14 1.11 1.11 1.09 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:yz D:yz P:z P:z D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:yz D:yz D:xy D:x2-y2 D:x2-y2 P:y P:y D:xz P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">1 14 47 70 14 1 15 2 18 5 4 1 14 17 18 5 71 49 18 26 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W O O W W W W W W W W W W W W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.376</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">596</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.63 5.60 4.99 4.96 4.94 4.93 3.77 3.76 2.77 2.76 2.08 2.07 1.68 1.67 1.56 1.55 1.52 1.52 1.41 1.38 1.35 1.35 1.25 1.24 1.21 1.20 1.18 1.16 1.06 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:y P:y P:z P:z P:z P:z D:yz D:yz P:z P:z P:z P:z P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</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 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">20 10 12 19 7 9 13 8 9 19 8 13 48 92 92 48 89 84 9 19 50 55 78 88 88 78 84 89 10 20 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W O O O O O O W W O O O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.361</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">597</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.43 5.38 4.91 4.86 4.54 4.48 4.27 4.20 2.78 2.77 2.24 2.24 1.60 1.59 1.50 1.48 1.43 1.40 1.38 1.37 1.37 1.36 1.36 1.35 1.31 1.29 1.12 1.12 1.07 1.07 1.05 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:y P:y P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z D:yz D:yz P:y P:y P:y P:y D:yz D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">2 15 5 18 16 3 17 4 3 16 17 4 31 64 64 31 44 69 49 68 42 68 71 42 3 16 69 44 49 71 4 17 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W W W W W O O O O O O O O O O O O W W O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">598</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.87 4.05 4.04 3.08 2.92 2.83 2.82 2.49 2.46 1.88 1.86 1.83 1.71 1.71 1.51 1.50 1.37 1.18 1.16 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:x2-y2 D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:x D:z2 D:z2 D:z2 D:z2 P:x P:x D:z2 D:x2-y2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -6.750 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 0.80 0.80 1.00 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 6 11 100 101 12 7 19 9 22 13 8 10 20 63 58 102 102 39 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc W W Tc Tc W W W W O W W W W O O Tc Tc O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.288</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">599</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.58 3.96 3.94 3.52 2.75 2.72 2.05 2.03 2.02 2.01 1.99 1.77 1.77 1.76 1.45 1.45 1.41 1.37 1.37 1.11 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:xy D:xy D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:x D:z2 P:x P:x D:z2 D:z2 D:z2 D:xy D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.00 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">100 14 1 102 4 17 101 18 3 5 16 15 22 2 70 47 100 7 12 11 6 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc W W Tc W W Tc W W W W W O W O O Tc W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">600</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.01 2.63 2.58 2.33 2.31 1.93 1.89 1.79 1.74 1.71 1.71 1.69 1.61 1.57 1.56 1.56 1.56 1.47 1.46 1.46 1.43 1.07 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy D:x2-y2 P:x P:x D:z2 D:z2 P:x D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">102 2 15 14 1 5 18 101 44 69 15 2 39 100 100 12 7 18 5 3 16 21 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc W W W W W W Tc O O W W O Tc Tc W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.234</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">601</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.71 5.54 5.46 5.40 3.87 3.60 3.42 3.27 2.73 2.59 2.28 2.06 2.00 1.95 1.94 1.89 1.73 1.52 1.47 1.47 1.32 1.23 1.23 1.22 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy P:x D:xz P:x D:xz D:x2-y2 D:xz D:xy P:x D:x2-y2 D:xz D:yz D:yz D:x2-y2 P:x P:x D:x2-y2 D:z2 P:x D:z2 P:x D:x2-y2 D:yz D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -6.750 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">20 12 50 12 84 7 12 20 19 82 7 10 12 103 20 83 55 8 12 75 7 89 10 8 20 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W O W O W W W W O W W W Tc W O O W W O W O W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.233</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">602</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.98 8.06 4.43 4.32 4.07 4.02 3.65 3.34 2.89 2.11 1.84 1.80 1.70 1.44 1.41 1.25 1.22 1.20 1.19 1.13 1.12 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:xy D:xy D:z2 P:x D:x2-y2 D:xy D:yz P:x D:xy D:xz P:x P:x D:yz D:yz P:y D:xz D:x2-y2 P:x D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -6.750 -10.027 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -6.750 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 1.00 1.33 1.00 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">7 10 12 102 55 102 9 7 89 20 7 85 57 19 12 59 10 7 59 19 100 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W Tc O Tc W W O W W O O W W O W W O W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">603</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.75 4.70 3.34 3.32 3.32 3.27 2.74 2.73 2.66 2.66 2.48 2.46 2.43 2.43 2.26 2.25 2.02 2.01 1.66 1.64 1.53 1.53 1.53 1.52 1.34 1.33 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz D:xz P:x D:xz P:x D:xz P:x P:x D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x P:x P:x D:yz D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 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 1.33 1.33 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">15 2 69 18 44 5 71 49 2 15 18 5 15 2 5 18 3 16 4 17 98 41 36 45 3 16 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W O W O W O O W W W W W W W W W W W W O O O O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">604</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">11.86 7.81 6.44 3.81 3.80 3.53 2.11 2.09 2.08 1.41 1.38 1.25 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:x2-y2 D:x2-y2 D:z2 D:xy D:xy P:x D:xz D:xy D:xy P:x D:x2-y2 D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 -6.750 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 0.80 0.80 1.33 1.00 0.80 0.80 1.33 1.00 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">102 101 102 15 2 21 101 18 5 39 100 100 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc Tc W W O Tc W W O Tc Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.032</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">605</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.40 5.39 5.15 3.95 3.87 3.66 3.62 2.96 2.94 2.68 2.67 2.60 2.60 2.23 2.23 1.75 1.74 1.74 1.72 1.71 1.70 1.69 1.55 1.53 1.25 1.25 1.19 1.17 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:x2-y2 D:x2-y2 D:xy D:z2 D:z2 D:z2 D:z2 P:x P:x D:yz D:yz D:x2-y2 D:x2-y2 D:z2 D:z2 P:x P:x P:x P:x D:xz D:xz D:yz P:x P:x D:xy D:xy P:z P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">19 9 102 9 19 8 13 48 92 19 9 8 13 7 12 51 56 95 81 9 19 103 88 78 9 19 48 92 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Tc W W W W O O W W W W W W O O O O W W Tc O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.002</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">606</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.70 3.34 3.29 3.20 3.16 2.42 2.40 2.10 2.09 2.09 2.08 2.08 2.05 1.93 1.90 1.79 1.58 1.57 1.55 1.54 1.40 1.40 1.30 1.30 1.19 1.18 1.15 1.14 1.08 1.07 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:xz D:xy D:xy D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:z2 D:xy P:x P:x D:z2 D:yz D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:yz D:yz P:x P:x D:xy D:xy P:x P:x P:x P:x P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">102 10 20 9 19 19 9 13 7 8 92 48 12 19 9 102 13 8 7 12 8 13 51 95 19 9 89 84 59 83 21 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">Tc W W W W W W W W W O O W W W Tc W W W W W W O O W W O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.986</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">607</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.82 4.82 3.75 3.74 3.71 3.69 2.49 2.48 2.19 2.17 1.99 1.99 1.70 1.68 1.65 1.62 1.57 1.56 1.53 1.49 1.47 1.41 1.37 1.37 1.27 1.17 1.17 1.16 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xy D:xy D:xy D:z2 D:z2 D:xy D:xy D:yz D:yz D:xy D:xy D:z2 D:z2 D:yz D:yz D:z2 D:z2 D:yz D:yz P:x P:z P:y P:y P:z P:x P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">9 19 12 7 10 20 20 10 9 19 8 13 7 12 12 7 13 8 20 10 93 73 74 76 85 73 75 91 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W W W W W W W 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">-0.956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">608</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.20 4.18 3.47 3.47 3.31 3.28 3.07 2.34 2.34 2.26 2.25 1.86 1.54 1.42 1.42 1.41 1.39 1.27 1.19 1.19 1.17 1.17 1.13 1.13 1.13 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xy D:xy D:z2 D:z2 D:x2-y2 D:z2 D:z2 D:xy D:xy D:z2 P:x D:xz D:yz D:xz D:yz P:z P:y P:y D:z2 D:z2 P:x P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 2 3 16 2 15 102 5 18 4 17 100 28 16 15 3 2 28 98 36 16 3 30 61 27 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W Tc W W W W Tc O W W W W O O O W W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.937</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">609</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.88 4.04 4.03 3.67 3.61 3.59 3.56 2.73 2.36 2.33 1.95 1.93 1.87 1.86 1.78 1.78 1.72 1.70 1.65 1.65 1.58 1.58 1.57 1.56 1.38 1.33 1.14 1.14 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:x2-y2 D:x2-y2 P:x P:x P:x P:x D:z2 D:z2 D:xy D:xy D:xz D:xz P:x P:x P:x P:x D:yz D:yz P:z P:z D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">101 17 4 17 4 16 3 100 16 3 68 42 54 43 15 2 2 15 16 3 97 64 35 31 17 4 68 42 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc W W W W W W Tc W W O O O O W W W W W W O O O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.918</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">610</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.34 4.59 3.96 3.90 3.90 3.85 2.44 2.41 2.15 2.10 1.59 1.56 1.56 1.55 1.55 1.44 1.43 1.26 1.19 1.18 1.17 1.14 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:x2-y2 D:z2 D:x2-y2 D:xy D:xy D:xy D:xy D:yz D:yz D:z2 D:z2 D:yz D:yz D:z2 P:y P:y P:x P:y P:x P:y D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">100 102 101 101 4 17 5 18 4 17 102 18 5 18 5 54 43 37 41 26 45 100 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc Tc Tc W W W W W W Tc W W W W O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">611</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.30 9.27 3.44 3.43 2.91 2.88 2.87 2.85 2.79 2.77 2.73 2.70 1.41 1.40 1.30 1.29 1.26 1.26 1.26 1.25 1.18 1.17 1.16 1.15 1.15 1.14 1.07 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:xy P:x P:x P:x P:x P:x P:x P:y P:y D:xz D:xz P:z P:z P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">11 6 11 6 8 13 9 19 12 7 20 10 79 24 99 77 53 80 74 76 19 9 77 79 99 24 87 94 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W O O O O O O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.897</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">612</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.85 3.65 3.65 3.37 3.37 3.11 3.08 3.05 2.46 2.45 1.96 1.96 1.89 1.88 1.60 1.55 1.55 1.41 1.32 1.31 1.23 1.22 1.21 1.21 1.19 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x P:x P:x D:z2 D:yz D:yz D:z2 D:xz D:xz D:xy D:xy P:x P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">101 4 17 18 5 100 4 17 16 3 43 54 42 68 101 4 17 100 15 2 16 3 35 97 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc W W W W Tc W W W W O O O O Tc W W Tc W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.877</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">613</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.94 8.93 4.05 4.03 3.23 3.22 2.81 2.79 2.79 2.77 1.78 1.78 1.46 1.45 1.36 1.35 1.35 1.35 1.26 1.26 1.12 1.12 1.12 1.11 1.11 1.11 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy P:y P:y P:x P:x P:x P:x P:z P:z D:xz D:xz P:x P:x P:z P:z D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 14 3 16 1 14 18 5 4 17 15 2 27 61 29 66 33 62 66 33 4 17 65 32 62 29 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W O O O O O O O O W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">614</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">15.81 3.57 3.56 3.30 3.30 2.45 2.44 2.37 2.22 2.22 2.19 2.19 2.05 2.05 2.05 2.04 2.02 2.01 1.93 1.93 1.63 1.57 1.56 1.56 1.55 1.09 1.09 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:z2 D:z2 D:xz D:xz D:z2 D:z2 D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y D:xy D:xy P:y P:x P:x P:z P:z D:yz D:xy D:xy P:y P:y P:x P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">103 10 20 20 10 19 9 102 12 7 20 10 51 13 8 95 84 89 75 91 102 9 19 57 82 59 83 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc W W W W W W Tc W W W W O W W O O O O O Tc W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">615</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.95 5.99 4.16 4.15 3.96 3.93 3.71 3.67 3.19 3.17 2.46 2.45 2.33 2.30 2.29 2.29 2.20 2.18 1.84 1.82 1.78 1.31 1.30 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:yz D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z D:z2 D:z2 D:xz P:x D:xz P:x D:xz D:xz P:x P:x D:xy D:xy D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">100 101 5 18 18 5 2 15 25 60 2 15 2 49 15 71 5 18 44 69 101 3 16 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Tc Tc W W W W W W O O W W W O W O W W O O Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">616</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.00 3.97 3.53 3.53 3.52 3.50 2.70 2.68 2.68 2.11 2.10 1.33 1.30 1.30 1.28 1.21 1.16 1.13 1.13 1.11 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:yz D:z2 D:yz D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:x2-y2 P:z D:x2-y2 P:x P:z D:yz D:yz D:z2 D:xz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -6.750 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 1.33 1.00 1.33 1.33 0.80 0.80 1.00 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">8 13 11 10 6 20 7 102 12 9 19 101 73 102 39 86 20 10 101 101 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W Tc W W W Tc O Tc O O W W Tc Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">617</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">7.32 6.96 6.74 5.77 3.85 3.44 3.19 2.72 2.09 1.83 1.83 1.27 1.13 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x D:x2-y2 D:xz D:z2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -6.750 -6.750 -6.750 -6.750 -6.750 -6.750 -6.750 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.80 0.80 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">39 101 101 101 103 100 102 100 102 10 20 103 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O Tc Tc Tc Tc Tc Tc Tc Tc W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">618</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.62 4.62 4.16 4.15 3.46 3.45 2.50 2.48 2.40 2.38 2.25 2.09 2.07 1.76 1.74 1.43 1.41 1.28 1.26 1.25 1.11 1.10 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:yz D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:z2 P:z P:z P:z D:xy D:xy D:x2-y2 P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">2 15 5 18 14 1 3 16 4 17 100 17 4 16 3 28 26 30 18 5 101 37 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W Tc W W W W O O O W W Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">619</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.38 5.35 5.28 4.56 4.54 2.80 2.78 2.36 2.33 1.82 1.81 1.68 1.68 1.47 1.44 1.40 1.39 1.32 1.30 1.29 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy D:z2 D:z2 D:z2 D:xy D:xy D:z2 D:z2 P:y P:y D:xy D:xy D:xy D:xy D:z2 D:z2 P:x P:z D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">8 13 102 8 13 20 10 12 7 88 78 7 12 9 19 9 19 86 86 102 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W Tc W W W W W W O O W W W W W W O O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.460</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">620</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">14.55 14.52 3.93 3.91 2.34 2.34 2.29 2.29 1.89 1.89 1.83 1.83 1.81 1.80 1.59 1.56 1.14 1.13 1.13 1.12 1.12 1.10 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy P:x P:x P:y P:y D:yz D:yz P:y P:y D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:z2 D:z2 D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 4.727 4.727 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">11 6 58 63 24 79 6 11 53 80 11 6 10 20 9 19 19 9 9 19 10 20 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O O O W W O O W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">621</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.33 4.46 4.24 3.87 3.79 2.23 2.18 1.96 1.91 1.80 1.74 1.49 1.45 1.40 1.37 1.36 1.33 1.27 1.23 1.21 1.21 1.13 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:xy D:xy D:z2 D:z2 D:xy D:xy D:xy D:xy D:z2 D:z2 P:y D:xy D:xy P:y D:z2 D:yz D:yz D:yz D:z2 D:yz D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">100 17 4 17 4 3 16 2 15 3 16 68 5 18 42 5 18 14 5 18 2 1 15 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc W W W W W W W W W W O W W O W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.444</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">622</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">16.87 16.78 4.55 4.52 2.14 2.13 1.59 1.53 1.32 1.23 1.21 1.18 1.16 1.15 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xy D:xy P:x P:x D:xy D:xy P:y P:y P:y P:y D:x2-y2 D:x2-y2 P:y P:y D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">1 14 47 70 1 14 62 29 33 66 5 18 65 32 3 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W O O W W O O O O W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.436</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">623</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">13.85 13.85 3.93 3.91 2.59 2.55 2.16 2.15 2.15 2.14 2.03 2.03 1.72 1.72 1.20 1.18 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz P:z P:z D:z2 D:z2 D:xy P:y D:xy P:y P:y P:y D:yz D:yz D:xy D:xy D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 4.727 4.727 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.00 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 11 63 58 7 12 11 77 6 99 94 87 6 11 13 8 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O O W W W O W O O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">624</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">15.89 15.68 4.49 4.42 2.15 2.11 1.97 1.95 1.82 1.80 1.46 1.44 1.39 1.39 1.24 1.23 1.18 1.17 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz P:z P:z D:z2 D:z2 D:yz D:yz D:z2 D:z2 P:y P:y P:y P:y P:y P:y P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 4.727 4.727 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">1 14 47 70 18 5 1 14 15 2 33 66 67 34 29 62 32 65 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W O O W W W W W W 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">-0.396</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">625</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.41 4.39 3.46 3.45 2.66 2.61 2.40 2.37 2.24 2.05 1.81 1.66 1.64 1.51 1.51 1.48 1.45 1.34 1.28 1.27 1.22 1.21 1.17 1.16 1.11 1.11 1.10 1.09 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y D:yz D:yz P:z D:xy D:xy D:xz D:xz P:y P:y P:y P:y P:y P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">10 20 19 9 7 12 7 12 73 85 93 10 20 48 92 8 13 86 9 19 7 12 84 89 94 80 53 87 102 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W O O O W W O O W W O W W W W O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.376</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">626</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.13 4.13 2.76 2.75 2.53 2.51 2.39 2.16 2.15 2.07 2.07 1.99 1.84 1.50 1.49 1.43 1.36 1.35 1.23 1.22 1.22 1.22 1.13 1.11 1.11 1.10 1.06 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:y P:y D:z2 D:z2 D:z2 P:y P:y P:y P:y D:yz D:yz P:y P:y P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">2 15 18 5 16 3 28 18 5 15 2 26 30 31 64 100 17 4 69 44 65 32 3 16 67 34 37 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W O W W W W O O O O Tc W W O O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.350</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">627</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">2.92 2.91 2.90 2.89 2.09 2.08 1.94 1.94 1.92 1.91 1.70 1.69 1.55 1.55 1.25 1.24 1.18 1.17 1.17 1.15 1.14 1.13 1.13 1.03 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz P:y D:yz P:y P:z D:yz D:z2 D:z2 P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 20 10 9 13 8 10 20 75 91 12 7 7 12 19 9 48 9 92 93 19 7 12 89 84 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W O O W W W W W W O W O O W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.308</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">628</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.72 2.72 2.61 2.60 2.19 2.19 2.15 2.14 1.90 1.89 1.65 1.64 1.30 1.30 1.18 1.18 1.15 1.14 1.12 1.12 1.04 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz P:z P:z D:xz D:xz D:x2-y2 D:x2-y2 P:x P:x D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">16 3 18 5 17 4 18 5 60 25 15 2 7 12 71 49 15 2 18 5 15 2 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W O O W W W W O O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">629</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.13 4.14 3.61 3.59 2.74 2.43 2.36 2.09 2.06 2.01 2.00 1.87 1.81 1.71 1.70 1.46 1.44 1.41 1.39 1.26 1.21 1.17 1.14 1.12 1.09 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:z2 P:x P:z D:xz P:x P:z P:x P:x D:yz D:xy D:z2 D:yz D:x2-y2 D:xy D:xz D:x2-y2 D:xz P:y D:yz P:y P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">103 8 13 13 8 12 19 81 76 7 56 74 78 88 102 7 9 13 9 12 9 19 19 82 8 57 50 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc W W W W W W O O W O O O O Tc W W W W W W W W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.220</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">630</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">5.84 5.46 5.12 4.91 2.80 2.01 1.56 1.46 1.29 1.23 1.13 1.11 1.10 1.10 1.09 1.03 1.03 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:xy D:xy D:z2 D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz D:xz P:x D:yz D:yz D:z2 P:y P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">9 6 11 19 8 13 86 93 7 20 7 63 10 12 13 92 88 58 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W O O W W W O W W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.194</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">631</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.46 5.42 4.40 4.39 2.14 2.13 1.77 1.75 1.75 1.74 1.66 1.66 1.54 1.28 1.28 1.15 1.14 1.11 1.10 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy D:z2 D:z2 D:z2 D:z2 P:z D:x2-y2 D:x2-y2 P:z D:yz D:yz D:z2 D:xz D:xz P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">1 14 17 4 16 3 37 16 3 30 2 15 100 2 15 31 64 68 42 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W O W W O W W Tc W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.144</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">632</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.48 5.18 4.81 4.56 3.79 3.71 3.67 3.60 3.59 3.44 2.25 2.20 2.15 2.14 2.08 2.07 2.05 2.01 2.01 1.98 1.89 1.67 1.62 1.54 1.52 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:x D:xy P:x P:x P:x D:xz P:x D:xz P:x P:x P:x D:yz D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 17 3 16 3 16 4 17 27 61 43 101 54 35 31 3 97 16 64 42 68 3 16 4 17 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O O Tc O O O W O W O O O W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">633</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.20 6.05 2.27 2.10 1.87 1.82 1.60 1.50 1.49 1.45 1.45 1.41 1.30 1.27 1.25 1.21 1.17 1.17 1.14 1.14 1.14 1.11 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:x2-y2 D:z2 P:x P:x D:xz P:z D:z2 P:z D:x2-y2 D:x2-y2 S D:z2 D:z2 D:z2 P:x D:xz D:xy D:xy P:x S D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -6.750 -10.027 -4.411 -10.027 -4.411 -4.411 -6.581 -4.411 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 3.073 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.00 1.00 1.33 1.33 1.00 1.33 0.80 1.33 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.00 0.80 0.80 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">8 13 102 102 56 81 102 74 17 76 9 19 107 9 4 19 88 101 7 12 78 107 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W Tc Tc O O Tc O W O W W H W W W O Tc W W O H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.069</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">634</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">13.54 4.09 3.28 3.11 3.02 2.96 2.82 2.16 2.12 2.01 1.97 1.91 1.88 1.77 1.69 1.67 1.59 1.42 1.41 1.24 1.21 1.12 1.06 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:z2 D:z2 D:xy D:z2 D:z2 D:xz D:xz P:z D:x2-y2 P:z D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x P:y P:y P:z P:z P:x D:z2 P:x D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">103 102 9 19 102 8 13 12 7 74 9 76 19 8 13 51 95 82 57 82 57 48 20 92 10 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc Tc W W Tc W W W W O W O W W W O O O O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.065</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">635</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.46 5.46 4.51 2.81 2.48 2.29 2.28 1.91 1.90 1.85 1.83 1.79 1.79 1.49 1.48 1.48 1.46 1.42 1.26 1.17 1.10 1.09 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:x2-y2 D:z2 P:x P:x P:x P:z P:z D:x2-y2 D:x2-y2 D:z2 D:z2 P:x P:x D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:xy D:xy S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -5.732 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.00 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">16 3 101 101 39 97 35 61 27 17 4 17 4 64 31 16 3 19 9 103 2 15 100 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W Tc Tc O O O O O W W W W O O W W W W Tc W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.066</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">636</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">5.36 5.32 2.78 2.76 2.04 2.03 2.01 1.96 1.93 1.78 1.76 1.63 1.61 1.61 1.43 1.42 1.42 1.39 1.38 1.36 1.36 1.36 1.36 1.34 1.32 1.30 1.28 1.26 1.14 1.14 1.10 1.10 1.10 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:yz D:yz D:xz D:xz D:xz D:xz D:z2 D:yz D:yz D:x2-y2 D:x2-y2 D:xy P:z D:xy D:x2-y2 D:z2 D:x2-y2 D:yz D:z2 D:yz P:x P:z D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:x P:x D:x2-y2 P:x D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">11 6 10 20 7 12 102 8 13 13 8 20 86 10 19 6 9 9 11 19 73 93 19 9 13 8 12 7 80 53 10 85 20 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W Tc W W W W W O W W W W W W W O O W W W W W W O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">637</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.59 4.58 2.32 2.31 2.29 2.29 1.83 1.81 1.81 1.77 1.75 1.75 1.63 1.62 1.47 1.46 1.46 1.36 1.35 1.35 1.35 1.35 1.35 1.34 1.33 1.33 1.28 1.28 1.27 1.21 1.16 1.16 1.02 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">D:yz D:yz D:xz D:xz D:xz D:xz D:yz D:z2 D:yz D:yz D:yz D:z2 D:xy D:xy D:xy P:z D:xy D:x2-y2 D:z2 P:z D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 P:x D:x2-y2 P:x D:x2-y2 D:x2-y2 P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">1 14 5 18 2 15 4 101 17 3 16 100 15 2 18 37 5 17 17 30 4 16 1 4 3 14 16 26 3 28 18 5 32 65 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W W W W Tc W W W Tc W W W O W W W O W W W W W W W O W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.356</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">638</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">32.87 21.65 1.79 1.79 1.54 1.54 1.48 1.48 1.38 1.37 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:yz D:yz P:y P:y D:xz D:xz P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">100 101 36 98 15 2 54 43 98 36 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">639</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">19.05 7.32 2.92 2.91 2.20 2.19 2.09 2.09 1.81 1.81 1.77 1.77 1.37 1.36 1.19 1.19 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz D:xz D:xz D:xz D:xz D:xy D:xy P:y P:y D:xy D:xy D:z2 D:z2 P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 100 18 5 15 2 5 18 41 45 2 15 16 3 60 25 45 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc W W W W W W O O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">640</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">6.68 6.44 6.34 5.91 5.19 5.19 4.57 4.57 3.73 3.73 3.39 3.39 2.28 2.27 2.06 2.06 -2.04 1.93 1.93 -1.75 1.72 1.72 1.51 1.51 1.36 1.36 1.34 1.33 1.31 1.30 1.16 1.16 -1.09 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 2 3 3 3 3 3 3 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S S S S S S S 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="35"
                               units="nonsi:electronvolt">1.164 1.164 1.164 1.164 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 3.851 1.722 1.722 3.851 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -15.731 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">102 101 103 100 9 19 16 3 12 7 18 5 6 11 8 13 105 14 1 104 9 19 16 3 17 4 10 20 15 2 12 7 105 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">Tc Tc Tc Tc W W W W W W W W W W W W P W W P W W W W W W W W W W W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">641</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">37.60 3.58 3.55 2.58 2.58 2.46 2.44 2.11 2.08 1.56 1.54 1.35 1.35 1.24 1.23 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:yz D:xz D:xz D:xz D:xz P:y P:y D:xy D:xy P:z P:z P:y P:y D:xy D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">102 20 10 8 13 59 83 10 20 83 59 81 56 13 8 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc W W W W O O W W O O O O W W O O</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">642</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">20.12 15.50 5.54 3.97 3.25 3.25 2.73 2.73 2.57 2.57 2.44 2.44 2.27 -2.18 2.12 2.12 1.99 -1.77 1.75 1.75 1.57 1.57 -1.57 1.50 1.50 -1.45 1.39 1.39 -1.30 1.25 1.25 -1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 2 2 3 3 2 2 3 3 3 3 1 3 3 3 1 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S 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="32"
                               units="nonsi:electronvolt">1.164 1.164 -5.732 -5.732 1.722 1.722 3.073 3.073 1.722 1.722 1.722 1.722 -6.581 1.164 1.722 1.722 -6.581 -5.732 1.722 1.722 1.722 1.722 1.164 1.722 1.722 3.851 1.722 1.722 -5.732 1.722 1.722 3.851</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">100 102 100 102 8 13 106 107 15 2 17 4 106 101 14 1 107 101 6 11 16 3 103 10 20 104 9 19 103 5 18 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc Tc Tc Tc W W H H W W W W H Tc W W H Tc W W W W Tc W W P W W Tc W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">643</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">18.30 17.54 8.12 7.44 6.14 6.14 5.06 4.93 4.51 4.09 -3.44 -3.23 2.75 2.25 2.07 2.07 -1.91 1.60 1.59 -1.59 1.48 1.47 1.17 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 2 2 3 3 2 2 1 1 3 3 2 2 3 3 2 3 3 2 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S P:x P:x S S S S P:x S S P:x S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.164 1.164 -5.732 -5.732 1.164 1.164 3.073 3.073 -6.581 -6.581 2.733 2.733 -5.732 -5.732 1.722 1.722 -0.512 1.722 1.722 -0.512 1.722 1.722 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">100 102 100 102 101 103 106 107 106 107 105 104 103 101 16 3 100 19 9 102 8 13 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc Tc Tc Tc Tc H H H H P P Tc Tc W W Tc W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.815</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">644</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.09 4.10 2.69 2.57 2.55 2.55 2.38 2.37 1.98 1.83 1.78 1.74 1.74 1.69 1.67 1.55 1.54 1.53 1.21 1.21 1.08 1.08 1.06 1.06 1.05 1.03 -1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 2 2 1 1 1 1 2 3 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S D:z2 D:z2 D:x2-y2 D:x2-y2 S S S D:xy D:xy S S D:yz D:yz S D:xy D:xy S P:y D:z2 D:z2 P:y D:z2 P:x D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.164 1.164 -5.732 -15.731 -4.411 -4.411 -4.411 -4.411 -5.732 3.851 3.073 -4.411 -4.411 -6.581 3.073 -4.411 -4.411 -6.581 -4.411 -4.411 -15.731 -10.027 -4.411 -4.411 -10.027 -4.411 -0.512 -4.411 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 2.00 2.00 0.80 0.80 0.80 0.80 2.00 0.00 0.00 0.80 0.80 1.00 0.00 0.80 0.80 1.00 0.80 0.80 2.00 1.33 0.80 0.80 1.33 0.80 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 100 102 105 6 11 6 11 100 105 107 19 9 107 106 19 9 106 13 8 104 63 14 1 58 20 102 10 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc Tc P W W W W Tc P H W W H H W W H W W P O W W O W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">645</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.63 2.63 2.56 2.56 2.36 2.35 2.22 1.89 1.88 1.69 1.66 1.62 1.62 1.62 1.45 1.45 1.37 1.36 1.26 1.26 1.16 1.15 1.10 1.08 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 3 3 1 1 2 3 3 3 3 1 3 1 1 1 1 1 1 1 1 1 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 S S D:x2-y2 D:x2-y2 S S S S S D:xy S D:xy D:xy D:xy D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 1.722 1.722 -4.411 -4.411 -15.731 1.722 1.722 1.164 3.851 -4.411 1.164 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 0.156 0.156 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.00 0.00 0.80 0.80 2.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">14 1 12 7 14 1 104 5 18 101 104 16 103 3 17 4 16 3 6 11 6 11 70 1 14 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W P W W Tc P W Tc W W W W W W W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">646</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.90 6.90 3.79 3.76 3.11 3.09 2.49 2.45 2.28 2.27 2.00 2.00 1.40 1.36 1.21 1.19 1.19 1.15 1.13 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:xy D:xy D:z2 D:z2 P:x D:xy D:xy D:z2 D:z2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 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 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 11 10 20 13 8 7 12 9 19 13 8 20 10 86 19 9 12 7 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.967</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">647</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">7.16 7.15 6.10 6.09 5.37 5.37 -4.91 4.80 4.80 -3.97 3.76 3.76 3.05 3.05 3.00 3.00 2.84 2.83 2.37 2.37 1.64 1.64 1.34 1.34 1.32 1.31 1.26 1.26 -1.16 1.12 1.12 -1.05 -1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 3 3 3 3 3 3 3 3 2 2 2 2 3 3 2 2 2 2 2 2 3 3 1 1 3 3 2 3 3 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S P:z S S P:z S S S S S S S S S S S S S S D:yz D:yz S S P:z S S P:z P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 1.722 1.722 2.733 1.722 1.722 2.733 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -4.411 -4.411 1.722 1.722 -0.512 1.722 1.722 -0.512 -5.665 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">12 7 16 3 9 19 105 5 18 104 12 7 16 3 10 20 9 19 18 5 10 20 2 15 5 18 4 17 103 8 13 101 105 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W P W W P W W W W W W W W W W W W W W W W W W Tc W W Tc P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">648</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.23 6.22 3.87 3.83 2.32 2.31 2.30 2.30 1.82 1.81 1.65 1.64 1.61 1.61 1.53 1.53 1.33 1.31 1.18 1.18 1.15 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:yz S S S S D:xy D:xy D:z2 D:z2 D:xy D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.722 1.722 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 1 2 15 16 3 4 17 5 18 16 3 7 12 17 4 15 2 16 3 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">649</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">8.71 8.32 8.11 7.94 -6.18 -5.87 4.94 4.75 4.73 4.56 4.51 4.23 4.23 4.21 4.01 3.90 3.80 3.63 2.83 2.79 2.73 2.56 2.54 2.47 2.45 2.41 2.00 1.94 -1.91 1.86 1.85 -1.77 1.67 1.61 1.53 1.52 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 2 3 3 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S P:y P:y S S S S S S S S S S S S S S S S S S S S S S P:y S S P:y S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 2.733 2.733 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -5.665 1.722 1.722 -5.665 1.722 1.722 1.722 1.722 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">11 6 1 14 105 104 12 5 7 18 19 9 3 16 11 6 1 14 12 7 5 18 19 3 9 16 20 2 105 15 10 104 13 8 4 17 2 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W P P W W W W W W W W W W W W W W W W W W W W W W P W W P W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">650</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="39">6.42 6.15 4.41 4.13 4.07 3.59 3.40 3.31 3.29 3.24 3.20 3.09 3.02 3.01 2.77 2.73 2.62 2.61 2.55 2.47 2.47 -2.41 2.32 2.06 2.01 2.00 1.94 -1.89 1.87 1.86 1.71 1.60 -1.59 -1.47 1.20 -1.14 1.11 1.06 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">3 3 3 3 2 3 3 3 3 2 3 2 1 3 2 3 2 3 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 2 3 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="39">S S S S S S S S S S S S S S S S S S S S S P:x S S S S S S S S S S P:x S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -5.732 1.722 1.722 1.722 1.722 -6.402 1.722 -6.402 -6.581 1.722 -5.732 1.722 3.073 1.722 -6.581 -6.402 3.073 -0.512 -6.402 -6.402 -6.402 -6.402 -6.402 1.164 -6.402 -6.402 -6.402 -6.402 -0.512 1.164 1.722 -5.732 1.164 1.722 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 1.00 0.00 2.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="39">18 5 14 1 100 6 15 11 2 18 9 5 106 19 102 10 106 20 107 14 107 100 1 15 6 2 10 101 20 11 9 19 102 103 7 101 100 12 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">W W W W Tc W W W W W W W H W Tc W H W H W H Tc W W W W W Tc W W W W Tc Tc W Tc Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">651</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">11.27 11.26 10.67 10.67 -6.55 6.27 6.27 -6.16 5.95 5.95 3.79 3.79 3.48 3.46 3.11 3.11 3.03 3.01 2.29 2.29 2.06 2.06 -2.00 -1.93 1.83 1.83 1.83 1.81 1.45 1.44 1.32 1.31 1.13 1.13 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">3 3 3 3 3 2 2 3 2 2 3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S P:y S S P:y S S S S S S S S S S S S S S P:y P:y S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 2.733 -6.402 -6.402 2.733 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.665 -5.665 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">14 1 6 11 104 14 1 105 6 11 15 2 10 20 17 4 13 8 2 15 10 20 104 105 4 17 13 8 18 5 7 12 16 3 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W P W W P W W W W W W W W W W W W W W P P W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.162</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">652</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">12.49 12.48 8.51 8.49 7.91 7.91 5.34 5.33 -4.87 -3.08 2.48 2.46 2.40 2.40 2.34 2.34 2.25 2.05 2.02 2.01 -2.00 -1.70 1.58 1.57 1.47 1.47 1.39 1.39 -1.30 1.29 1.27 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 2 2 2 2 3 3 3 3 3 3 3 3 1 2 3 3 2 2 2 2 3 3 2 2 2 2 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S P:z P:z S S S S S S S S S S P:z P:z S S S S S S P:z S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 2.733 2.733 1.722 1.722 1.722 1.722 1.722 1.722 -6.581 3.073 1.722 1.722 -0.512 -0.512 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -5.665 -5.732 1.164 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 1.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">17 4 20 10 17 4 20 10 104 105 8 13 16 3 2 15 106 106 9 19 100 102 8 13 18 5 2 15 104 103 103 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W P P W W W W W W H H W W Tc Tc W W W W W W P Tc Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">653</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">6.85 6.84 6.16 6.16 4.76 4.76 4.56 4.56 3.74 3.60 3.11 2.98 2.76 2.75 2.27 2.26 2.13 -1.70 1.69 1.68 -1.66 1.59 1.59 1.59 1.59 1.27 1.17 1.16 -1.15 -1.10 -1.09 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 3 2 2 2 2 2 2 2 3 3 3 2 2 3 3 3 3 3 2 2 3 3 2 1 1 3 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S S S S S S S S S S S S S S S P:z S S S S S D:x2-y2 D:x2-y2 S P:x P:x S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.732 -5.732 -5.732 1.164 1.722 1.722 -6.402 -6.402 1.164 1.164 1.722 1.722 2.733 -6.402 -6.402 1.722 1.722 -5.732 -4.411 -4.411 1.164 -0.512 -0.512 -6.581 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.80 0.80 0.00 0.00 0.00 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">8 13 15 2 8 13 2 15 103 102 101 101 6 11 6 11 103 100 14 1 105 14 1 9 19 100 9 19 102 102 100 107 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W Tc Tc Tc Tc W W W W Tc Tc W W P W W W W Tc W W Tc Tc Tc H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.353</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">654</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.14 6.13 6.08 6.08 5.82 5.80 5.75 5.74 5.36 5.35 5.12 5.12 4.97 4.96 4.53 4.52 -3.26 -3.24 2.57 2.21 2.20 2.10 2.09 1.52 1.46 1.45 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S S S S S S S S S P:z P:z S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -0.512 -0.512 1.164 1.722 1.722 -6.402 -6.402 -5.732 -6.402 -6.402 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">20 10 4 17 8 13 2 15 8 13 4 17 2 15 20 10 100 102 102 12 7 12 7 102 16 3 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W Tc Tc Tc W W W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">655</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.55 3.48 3.48 3.40 2.97 2.94 2.90 2.88 2.79 2.73 2.56 2.53 2.48 2.48 2.45 2.37 2.36 1.91 1.87 1.73 1.67 1.50 1.47 1.46 1.17 1.16 1.14 1.13 1.13 1.12 1.11 1.09 1.08 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 2 2 3 2 3 2 2 2 3 2 3 2 3 3 2 2 2 3 3 1 1 2 2 2 2 2 3 1 3 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S S S S S S S S S S P:y S S S S D:xz D:xz P:y S S S S S D:yz S S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 1.722 -6.402 1.722 -6.402 -6.402 -6.402 1.722 -6.402 1.722 -6.402 1.722 1.722 -5.665 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -5.665 -6.402 -6.402 -6.402 -6.402 1.722 -6.750 1.722 1.722 -4.411 1.722 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 1.00 2.00 2.00 0.00 0.00 0.80 0.80 1.00 2.00 2.00 2.00 2.00 0.00 1.00 0.00 0.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">12 7 7 12 18 5 5 18 19 9 9 16 19 3 3 16 105 10 20 20 10 9 19 104 13 2 8 15 15 102 8 2 19 13 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W W W W W W W W W P W W W W W W P W W W W W Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.502</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">656</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">2.77 2.75 2.47 2.41 2.40 2.27 2.27 2.26 1.73 1.72 1.64 1.64 1.22 1.22 1.21 1.20 1.14 1.14 1.13 1.12 1.12 1.12 1.10 1.10 1.09 1.08 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 2 1 1 3 2 3 1 1 2 2 2 2 2 2 1 2 2 1 1 1 1 1 1 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S P:y D:x2-y2 D:x2-y2 S P:y S D:x2-y2 D:x2-y2 S S S S S S D:yz S S D:yz D:yz D:yz P:y P:y D:yz S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.402 -6.402 -5.665 -4.411 -4.411 1.722 -5.665 1.722 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -4.411 -6.402 -6.402 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 1.722 1.722 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 2.00 1.00 0.80 0.80 0.00 1.00 0.00 0.80 0.80 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 0.80 0.80 1.33 1.33 1.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">15 2 104 6 11 2 105 15 14 1 10 20 3 16 4 17 19 18 5 9 16 3 63 58 102 20 10 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W P W W W P W W W W W W W W W W W W W W W O O Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">657</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.62 5.42 5.12 4.96 4.60 4.47 4.01 3.87 3.80 3.63 3.07 2.96 2.66 2.55 2.12 2.09 1.82 1.74 1.54 1.49 1.47 1.43 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 2 3 3 3 3 2 2 2 2 3 3 1 1 2 2 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 S S S D:x2-y2 S D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.402 -4.411 -6.402 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 2.00 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">19 9 9 19 16 3 10 20 3 16 20 10 2 15 1 14 15 2 17 6 4 11 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.608</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">658</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.13 3.92 3.57 3.31 3.26 3.06 3.00 2.83 2.78 2.74 2.57 2.57 2.54 2.44 2.36 2.30 2.30 2.10 1.85 1.73 1.62 1.56 1.54 1.43 1.38 1.37 1.37 1.24 1.24 1.23 1.21 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 2 2 2 2 3 3 3 3 1 1 1 2 1 2 2 2 2 2 2 2 1 3 1 1 1 3 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S S S S S D:x2-y2 D:x2-y2 D:x2-y2 S D:x2-y2 S S S S S S S P:y S P:y P:y P:y S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -4.411 -4.411 -4.411 -6.402 -4.411 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -10.027 1.722 -10.027 -10.027 -10.027 1.722 1.722 1.722 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.33 0.00 1.33 1.33 1.33 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">13 8 7 12 12 7 8 13 5 17 18 4 6 11 1 18 14 5 4 17 6 11 1 14 63 11 58 70 47 14 6 1 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W W W W W W W W W W W W W W W O W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">659</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.63 9.54 5.27 5.23 2.53 2.47 2.04 2.04 1.73 1.71 1.71 1.71 1.70 1.68 1.59 1.57 1.47 1.46 1.32 1.16 1.12 1.11 1.10 1.07 1.06 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:yz D:yz P:z P:z P:z P:z P:z P:z D:xy D:xy P:x D:z2 D:z2 P:z P:z D:xz P:z D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 0.156 0.156 -4.411 -10.027 -4.411 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.00 0.00 0.80 1.33 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">20 10 19 9 9 19 19 9 8 13 53 80 48 92 84 89 20 10 93 9 19 9 19 9 96 19 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W O O O O O O W W O W W W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.654</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">660</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.65 9.61 5.38 5.27 2.46 2.45 2.07 2.03 1.72 1.72 1.63 1.62 1.57 1.56 1.56 1.55 1.49 1.48 1.31 1.30 1.29 1.13 1.12 1.11 1.11 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy P:z P:z P:z P:z D:yz P:z P:z D:yz D:xy D:xy P:x D:z2 D:z2 P:z P:z D:xz D:xz P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 0.156 0.156 -4.411 -4.411 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.00 0.00 0.80 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">2 15 16 3 16 3 16 3 32 65 64 31 4 44 69 17 15 2 30 3 16 16 3 16 3 40 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W O O O O W O O W W W O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.655</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">661</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="42">3.59 3.51 3.24 3.13 2.87 2.81 2.81 2.75 2.38 2.30 2.28 2.28 2.22 2.21 2.19 2.19 2.17 2.13 2.07 2.06 1.71 1.67 1.64 1.57 1.31 1.31 1.27 1.26 1.19 1.16 1.15 1.12 1.11 1.10 1.10 1.08 1.07 1.05 1.05 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="42">3 3 1 1 2 3 2 3 2 2 2 2 3 2 1 3 2 3 3 1 1 1 3 3 1 3 1 3 1 1 1 1 2 3 2 1 2 2 2 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="42">S S D:x2-y2 D:x2-y2 S S S S S S S S S S D:x2-y2 S S S S D:x2-y2 P:y P:y S S D:z2 S D:z2 S D:yz P:y D:yz P:y S S S D:yz P:y S S P:y S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">1.722 1.722 -4.411 -4.411 -6.402 1.722 -6.402 1.722 -6.402 -6.402 -6.402 -6.402 1.722 -6.402 -4.411 1.722 -6.402 1.722 1.722 -4.411 -10.027 -10.027 1.722 1.722 -4.411 1.722 -4.411 1.722 -4.411 -10.027 -4.411 -10.027 -6.402 1.722 -6.402 -4.411 0.156 -6.402 -6.402 0.156 1.722 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">0.00 0.00 0.80 0.80 2.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 0.80 0.00 2.00 0.00 0.00 0.80 1.33 1.33 0.00 0.00 0.80 0.00 0.80 0.00 0.80 1.33 0.80 1.33 2.00 0.00 2.00 0.80 0.00 2.00 2.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="42">17 4 14 1 17 8 4 13 8 13 2 20 2 15 6 20 10 15 10 11 70 47 16 3 14 9 1 19 15 63 2 58 16 5 5 10 14 18 3 1 18 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">W W W W W W W W W W W W W W W W W W W W O O W W W W W W W O W O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.673</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">662</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">8.90 8.82 7.41 7.29 6.28 6.20 5.49 5.38 1.31 1.21 1.18 1.15 1.13 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">3 3 2 2 3 3 2 2 2 2 1 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S D:x2-y2 S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -5.732 -6.402 -4.411 -6.402 -6.402 -4.411 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">6 11 6 11 14 1 14 1 103 3 11 16 7 6 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">W W W W W W W W Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">663</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.34 5.30 5.21 5.21 4.47 4.45 2.00 1.99 1.76 1.73 1.69 1.67 1.54 1.52 1.49 1.47 1.28 1.26 1.21 1.21 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 3 3 2 2 3 3 1 1 2 2 1 1 3 3 1 1 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz S S S S S S D:yz D:yz S S D:yz D:yz S S D:xy D:xy S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 1.722 1.722 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 0.80 0.80 0.00 0.00 0.80 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">12 7 14 1 14 1 11 6 5 18 15 2 13 8 15 2 12 7 11 6 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.735</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="20">5.87 5.78 4.12 4.09 3.42 3.39 2.70 2.68 1.83 1.80 1.71 1.68 1.57 1.54 1.21 1.20 1.18 1.17 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 2 2 3 3 2 2 1 1 1 1 3 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz S S S S S S D:xy D:xy D:yz D:yz S S D:yz D:yz D:x2-y2 D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -4.411 -4.411 -4.411 -4.411 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">12 7 6 11 6 11 13 8 12 7 18 5 13 8 10 20 11 6 50 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.745</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">6.26 6.20 4.82 4.79 3.37 3.35 3.20 3.18 2.98 2.95 2.91 2.91 2.54 2.53 2.27 2.26 2.14 2.14 1.59 1.57 1.30 1.27 1.26 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 2 2 2 2 3 3 3 3 2 2 2 2 3 3 3 3 1 1 2 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:yz S S S S S S S S S S S S S S S S D:xy D:xy S S S P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.581 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 2.00 2.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">18 5 4 17 9 19 9 19 4 17 14 1 16 3 16 3 1 14 5 18 8 13 106 71 49 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W W W W W W W W W W H O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.753</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="18">13.91 13.90 2.98 2.84 2.71 1.84 1.84 1.78 1.74 1.57 1.53 1.30 1.27 1.22 1.22 1.20 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz D:xz P:y D:yz D:yz D:yz P:y D:yz P:y D:x2-y2 D:x2-y2 D:yz P:y D:xz D:xz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 11 86 13 8 19 85 9 93 13 8 7 73 1 14 12 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O W W W O W O W W W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.760</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="28">6.22 6.21 5.29 5.28 5.06 5.04 4.20 4.18 2.00 1.99 1.86 1.86 1.40 1.39 1.34 1.34 1.24 1.24 1.21 1.18 1.17 1.15 1.09 1.08 -1.07 1.03 -1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 2 3 3 2 2 3 3 1 1 2 2 2 2 1 1 3 3 2 3 2 3 2 2 2 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S D:yz D:yz S S S S D:yz D:yz S S S S S S S S P:z S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 1.722 -6.402 1.722 -6.402 -6.402 -0.512 1.722 -0.512 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">16 3 16 3 19 9 19 9 5 18 6 11 14 1 15 2 6 11 12 12 7 7 20 10 103 5 101 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W W W W W Tc W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">668</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">14.20 14.15 2.61 2.53 2.53 2.20 2.18 2.16 1.63 1.47 1.31 1.29 1.11 1.09 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xz D:xz P:y D:yz D:yz D:yz D:yz P:y P:y P:y D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 1.33 0.80 0.80 0.80 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="16">14 1 37 4 17 16 3 30 26 28 4 17 2 15 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W O W W W W O O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.867</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">669</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">10.22 10.22 9.28 9.27 7.67 7.67 7.56 7.55 -6.34 -5.47 -4.42 2.75 2.74 2.47 2.47 -2.29 2.11 2.06 2.05 2.03 2.03 1.60 1.60 1.59 1.59 1.57 1.39 1.39 1.12 1.12 -1.11 1.09 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 3 3 3 3 2 2 2 3 2 3 1 2 2 2 2 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:x S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -5.732 -5.732 1.164 -6.402 -6.402 1.722 1.722 1.164 1.164 1.722 1.722 -6.402 -6.402 -6.402 1.722 -6.402 1.722 -6.581 -6.402 -6.402 -6.402 -6.402 2.733 -6.581 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 1.00 2.00 2.00 2.00 2.00 0.00 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">5 18 18 5 7 12 7 12 103 101 101 15 2 3 16 103 102 19 9 3 16 11 15 6 2 106 19 9 1 14 104 107 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W Tc Tc Tc W W W W Tc Tc W W W W W W W W H W W W W P H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">670</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.33 6.21 5.83 5.71 3.53 3.47 3.27 3.23 3.20 2.91 2.84 2.77 -2.41 2.12 2.10 -1.99 1.88 1.74 1.69 1.65 1.61 1.57 1.54 1.51 1.46 1.29 1.18 1.15 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 2 2 2 2 2 3 3 1 1 1 3 2 2 2 2 1 1 2 2 3 3 3 3 3 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S D:xz D:xz S S S S P:x S D:xz D:xz S S S S S S S D:xz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.732 1.722 1.722 -4.411 -4.411 -6.581 1.164 -6.402 -6.402 -0.512 3.073 -4.411 -4.411 -6.402 -6.402 1.722 1.722 1.722 1.722 1.164 -4.411 -4.411 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 1.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">13 8 13 8 20 10 103 20 10 19 9 107 103 19 9 102 107 3 16 2 15 2 15 4 17 100 4 17 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W Tc W W W W H Tc W W Tc H W W W W W W W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">671</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">4.57 4.50 3.66 3.57 3.56 3.51 2.99 2.95 2.50 2.49 2.48 2.45 2.22 2.21 2.20 2.20 1.34 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 3 3 2 2 1 1 1 1 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz D:xz S S S S D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:xz D:xz D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 1.722 1.722 -6.402 -6.402 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.00 0.00 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">9 19 8 13 8 13 8 13 20 10 7 12 7 20 10 12 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.930</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">672</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.54 4.50 4.36 4.35 4.33 4.31 2.47 2.45 2.40 2.37 2.31 2.30 2.03 2.03 1.82 1.81 1.81 1.79 1.19 1.18 1.09 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 2 1 3 1 3 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S D:xz S D:xz S D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S D:xz D:xz S S S D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.402 -6.402 -4.411 1.722 -4.411 1.722 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -4.411 -4.411 -6.402 -6.402 -6.402 4.546 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 2.00 2.00 2.00 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 4 16 17 3 4 18 5 17 4 18 5 15 2 14 15 2 1 15 2 100 64 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.001</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">673</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.51 3.51 2.92 2.90 2.77 2.77 2.34 2.33 2.09 2.08 1.89 1.88 1.88 1.88 1.88 1.87 1.83 1.83 1.75 1.75 1.61 1.61 1.60 1.60 1.41 1.39 1.36 1.36 1.35 1.35 1.35 1.34 1.32 1.32 1.25 1.25 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">2 2 2 2 3 3 2 2 1 1 3 3 2 2 1 1 3 3 3 3 2 2 3 3 3 3 2 2 2 2 2 2 3 3 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S S S S S D:xz D:xz S S S S D:xz D:xz S S S S S S S S S S S S S S S S S S S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 -6.402 -4.411 -4.411 1.722 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">2 15 13 8 15 2 20 10 4 17 11 6 19 9 8 13 20 10 14 1 11 6 19 9 13 8 3 16 4 17 18 5 3 16 14 1 2 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.018</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">674</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">2.95 2.95 2.67 2.64 2.20 2.18 2.14 2.12 2.11 2.09 2.07 2.03 1.93 1.91 1.65 1.64 1.61 1.23 1.22 1.21 1.09 1.08 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 2 3 2 3 3 3 3 3 1 1 1 1 1 2 2 1 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xz D:xz D:xz D:xz D:xz S S S S S S S S S D:xz D:xz D:x2-y2 D:x2-y2 S S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 1.722 -6.402 1.722 1.722 1.722 1.722 1.722 -6.581 -4.411 -4.411 -4.411 -4.411 3.073 -6.402 -6.750 -6.402 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 0.80 0.80 0.80 0.00 2.00 1.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">16 3 17 4 9 19 15 15 2 2 4 17 13 8 106 8 13 14 1 106 18 101 5 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W H W W W W H W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">675</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.34 6.27 5.93 5.92 5.06 5.04 4.77 4.71 3.67 3.65 3.27 3.26 3.19 3.12 2.87 2.81 2.79 2.75 2.53 2.50 2.49 2.47 2.34 2.29 2.19 2.18 1.86 1.85 1.72 1.69 1.23 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 2 2 2 3 3 2 3 3 2 2 3 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S 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="32"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">20 10 4 17 2 15 8 13 10 20 12 7 17 4 2 15 16 3 5 13 8 18 12 7 19 9 18 5 3 16 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
