<?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">2025-09-14T18:02:27.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="0.106344"
                        y3="6.181047"
                        z3="0.266442"/>
                  <atom elementType="W"
                        id="a2"
                        x3="3.492256"
                        y3="5.761318"
                        z3="1.875779"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.522872"
                        y3="3.958316"
                        z3="1.013100"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.280157"
                        y3="2.906181"
                        z3="-0.972411"/>
                  <atom elementType="W"
                        id="a5"
                        x3="0.453069"
                        y3="6.824200"
                        z3="3.968379"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.469940"
                        y3="4.270105"
                        z3="7.831873"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.675962"
                        y3="0.370562"
                        z3="4.696869"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="3.586649"
                        y3="2.539523"
                        z3="0.733296"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-12.864671"
                        y3="9.159249"
                        z3="11.976394"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.191780"
                        y3="4.620862"
                        z3="4.705937"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.794767"
                        y3="6.259409"
                        z3="11.312455"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.776964"
                        y3="3.490566"
                        z3="2.591983"/>
                  <atom elementType="O"
                        id="a13"
                        x3="2.271493"
                        y3="6.477643"
                        z3="3.199442"/>
                  <atom elementType="O"
                        id="a14"
                        x3="1.155496"
                        y3="6.098519"
                        z3="5.652860"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.633711"
                        y3="3.140371"
                        z3="-0.575628"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.457569"
                        y3="4.881496"
                        z3="3.346346"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-1.782415"
                        y3="5.648198"
                        z3="0.341329"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.410457"
                        y3="2.181446"
                        z3="1.818037"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.179955"
                        y3="4.030011"
                        z3="0.407100"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.012346"
                        y3="6.070177"
                        z3="0.609492"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.322929"
                        y3="4.872069"
                        z3="-1.167356"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.078482"
                        y3="6.835453"
                        z3="2.078090"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-2.786091"
                        y3="4.683752"
                        z3="2.734525"/>
                  <atom elementType="O"
                        id="a24"
                        x3="4.220590"
                        y3="4.449994"
                        z3="0.668639"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.165513"
                        y3="1.202245"
                        z3="-0.021756"/>
                  <atom elementType="O"
                        id="a26"
                        x3="0.391503"
                        y3="4.395956"
                        z3="3.786569"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.171864"
                        y3="5.032603"
                        z3="5.696704"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.332822"
                        y3="3.580942"
                        z3="2.306877"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.316737"
                        y3="6.468706"
                        z3="4.513559"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.188675"
                        y3="2.404693"
                        z3="-2.657452"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.151372"
                        y3="2.889316"
                        z3="-0.658439"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.541374"
                        y3="7.134860"
                        z3="1.552932"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-0.876124"
                        y3="4.354440"
                        z3="6.259858"/>
                  <atom elementType="O"
                        id="a34"
                        x3="0.012276"
                        y3="3.947679"
                        z3="1.310101"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.010860"
                        y3="7.663505"
                        z3="-0.667401"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-7.912675"
                        y3="3.978140"
                        z3="11.066887"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.581756"
                        y3="8.549865"
                        z3="4.297024"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.173519"
                        y3="6.445206"
                        z3="10.229489"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.069036"
                        y3="4.238727"
                        z3="9.537841"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.421354"
                        y3="2.005193"
                        z3="2.913304"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.187875"
                        y3="3.260794"
                        z3="7.634792"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.218240"
                        y3="7.531097"
                        z3="12.299946"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-6.999093"
                        y3="6.030277"
                        z3="5.496497"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-9.191658"
                        y3="9.322787"
                        z3="6.336244"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.872811"
                        y3="2.259452"
                        z3="5.858653"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.787566"
                        y3="9.013354"
                        z3="7.955734"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.442353"
                        y3="-0.431094"
                        z3="3.216464"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.973958"
                        y3="1.482813"
                        z3="4.412001"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.731736"
                        y3="7.013446"
                        z3="7.083417"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.846716"
                        y3="6.015145"
                        z3="5.197495"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.690411"
                        y3="5.601138"
                        z3="2.828820"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.840589"
                        y3="10.114243"
                        z3="10.008525"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.357782"
                        y3="0.112293"
                        z3="3.649672"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.793782"
                        y3="10.430862"
                        z3="7.622749"/>
                  <atom elementType="Tc"
                        id="a55"
                        x3="-11.241851"
                        y3="7.779535"
                        z3="10.706492"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.794303"
                        y3="3.961037"
                        z3="5.282195"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.519669"
                        y3="5.680901"
                        z3="8.645041"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.492928"
                        y3="6.714273"
                        z3="8.754302"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-7.071777"
                        y3="9.759286"
                        z3="9.305659"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.190721"
                        y3="9.421439"
                        z3="11.736592"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.818203"
                        y3="6.195408"
                        z3="5.545285"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.856996"
                        y3="8.267272"
                        z3="9.529271"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-11.064902"
                        y3="8.733397"
                        z3="6.389306"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.600465"
                        y3="5.263977"
                        z3="7.957576"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.518691"
                        y3="4.022451"
                        z3="7.269661"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.390975"
                        y3="7.017993"
                        z3="6.485673"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-7.983768"
                        y3="1.684008"
                        z3="6.859532"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.904386"
                        y3="7.970923"
                        z3="4.955009"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.431829"
                        y3="10.029382"
                        z3="8.141069"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.937594"
                        y3="7.787238"
                        z3="8.803668"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-5.009569"
                        y3="7.729254"
                        z3="6.830930"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.260708"
                        y3="0.674837"
                        z3="4.817411"/>
                  <atom elementType="W"
                        id="a73"
                        x3="4.052017"
                        y3="3.101548"
                        z3="4.080002"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-1.925346"
                        y3="1.106487"
                        z3="3.373243"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.876734"
                        y3="0.053149"
                        z3="1.386568"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.999551"
                        y3="4.198973"
                        z3="6.135717"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-9.016111"
                        y3="4.352542"
                        z3="6.230452"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-9.060902"
                        y3="7.612272"
                        z3="9.924083"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.994176"
                        y3="8.232463"
                        z3="11.685246"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.953839"
                        y3="6.903813"
                        z3="8.554031"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.631570"
                        y3="9.694922"
                        z3="10.575097"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-0.956810"
                        y3="-0.071653"
                        z3="2.077762"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-4.838896"
                        y3="1.842073"
                        z3="6.053394"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.227067"
                        y3="7.107016"
                        z3="7.434932"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.445765"
                        y3="2.868108"
                        z3="12.347506"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.485372"
                        y3="5.742333"
                        z3="6.847497"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.789713"
                        y3="11.851076"
                        z3="10.299051"/>
                  <atom elementType="O"
                        id="a88"
                        x3="1.009929"
                        y3="-1.501737"
                        z3="0.573834"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.776543"
                        y3="5.221017"
                        z3="9.106470"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.462995"
                        y3="5.778853"
                        z3="10.590105"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.127205"
                        y3="7.638546"
                        z3="12.389937"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.596189"
                        y3="0.810875"
                        z3="1.052521"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.443457"
                        y3="2.833961"
                        z3="5.121859"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.691918"
                        y3="-0.484907"
                        z3="6.063322"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.880697"
                        y3="5.461010"
                        z3="3.518065"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.779793"
                        y3="7.675583"
                        z3="14.000693"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-9.333998"
                        y3="10.775575"
                        z3="5.356745"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.490167"
                        y3="7.345792"
                        z3="11.438452"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.073074"
                        y3="3.067547"
                        z3="8.318575"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.294079"
                        y3="9.291794"
                        z3="6.729545"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-9.837594"
                        y3="3.603613"
                        z3="10.939935"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.487350"
                        y3="3.235905"
                        z3="9.838950"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.339557"
                        y3="2.575032"
                        z3="4.480378"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.662179"
                        y3="2.328282"
                        z3="2.434957"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.229803"
                        y3="4.847516"
                        z3="10.655769"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.682560"
                        y3="2.842080"
                        z3="9.493691"/>
                  <atom elementType="O"
                        id="a107"
                        x3="5.057969"
                        y3="1.821378"
                        z3="-0.512530"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.359089"
                        y3="5.587258"
                        z3="12.075494"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.772429"
                        y3="0.922997"
                        z3="-0.781643"/>
               </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="a76 a6" order="S"/>
                  <bond atomRefs2="a72 a7" order="S"/>
                  <bond atomRefs2="a74 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a92 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a107 a8" order="S"/>
                  <bond atomRefs2="a79 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="a38 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="a51 a19" order="S"/>
                  <bond atomRefs2="a51 a23" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a76 a26" order="S"/>
                  <bond atomRefs2="a51 a27" order="S"/>
                  <bond atomRefs2="a83 a27" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a85 a36" order="S"/>
                  <bond atomRefs2="a89 a36" order="S"/>
                  <bond atomRefs2="a101 a36" order="S"/>
                  <bond atomRefs2="a105 a36" order="S"/>
                  <bond atomRefs2="a106 a36" order="S"/>
                  <bond atomRefs2="a108 a36" order="S"/>
                  <bond atomRefs2="a57 a38" order="S"/>
                  <bond atomRefs2="a62 a38" order="S"/>
                  <bond atomRefs2="a98 a38" order="S"/>
                  <bond atomRefs2="a105 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a90 a39" order="S"/>
                  <bond atomRefs2="a99 a39" order="S"/>
                  <bond atomRefs2="a101 a39" order="S"/>
                  <bond atomRefs2="a102 a39" order="S"/>
                  <bond atomRefs2="a72 a40" order="S"/>
                  <bond atomRefs2="a65 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a77 a41" order="S"/>
                  <bond atomRefs2="a99 a41" order="S"/>
                  <bond atomRefs2="a106 a41" order="S"/>
                  <bond atomRefs2="a60 a42" order="S"/>
                  <bond atomRefs2="a78 a42" order="S"/>
                  <bond atomRefs2="a91 a42" order="S"/>
                  <bond atomRefs2="a96 a42" order="S"/>
                  <bond atomRefs2="a98 a42" order="S"/>
                  <bond atomRefs2="a108 a42" order="S"/>
                  <bond atomRefs2="a50 a43" order="S"/>
                  <bond atomRefs2="a51 a43" order="S"/>
                  <bond atomRefs2="a86 a43" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a68 a44" order="S"/>
                  <bond atomRefs2="a69 a44" order="S"/>
                  <bond atomRefs2="a84 a44" order="S"/>
                  <bond atomRefs2="a97 a44" order="S"/>
                  <bond atomRefs2="a100 a44" order="S"/>
                  <bond atomRefs2="a72 a45" order="S"/>
                  <bond atomRefs2="a76 a45" order="S"/>
                  <bond atomRefs2="a54 a46" order="S"/>
                  <bond atomRefs2="a59 a46" order="S"/>
                  <bond atomRefs2="a62 a46" order="S"/>
                  <bond atomRefs2="a71 a46" order="S"/>
                  <bond atomRefs2="a100 a46" order="S"/>
                  <bond atomRefs2="a72 a47" order="S"/>
                  <bond atomRefs2="a75 a47" order="S"/>
                  <bond atomRefs2="a72 a48" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a61 a49" order="S"/>
                  <bond atomRefs2="a63 a49" order="S"/>
                  <bond atomRefs2="a64 a49" order="S"/>
                  <bond atomRefs2="a66 a49" order="S"/>
                  <bond atomRefs2="a70 a49" order="S"/>
                  <bond atomRefs2="a61 a50" order="S"/>
                  <bond atomRefs2="a68 a50" order="S"/>
                  <bond atomRefs2="a77 a50" order="S"/>
                  <bond atomRefs2="a95 a50" order="S"/>
                  <bond atomRefs2="a95 a51" order="S"/>
                  <bond atomRefs2="a59 a52" order="S"/>
                  <bond atomRefs2="a60 a52" order="S"/>
                  <bond atomRefs2="a69 a52" order="S"/>
                  <bond atomRefs2="a78 a52" order="S"/>
                  <bond atomRefs2="a81 a52" order="S"/>
                  <bond atomRefs2="a87 a52" order="S"/>
                  <bond atomRefs2="a74 a53" order="S"/>
                  <bond atomRefs2="a83 a53" order="S"/>
                  <bond atomRefs2="a70 a55" order="S"/>
                  <bond atomRefs2="a79 a55" order="S"/>
                  <bond atomRefs2="a81 a55" order="S"/>
                  <bond atomRefs2="a90 a55" order="S"/>
                  <bond atomRefs2="a91 a55" order="S"/>
                  <bond atomRefs2="a73 a56" order="S"/>
                  <bond atomRefs2="a76 a56" order="S"/>
                  <bond atomRefs2="a86 a57" order="S"/>
                  <bond atomRefs2="a78 a58" order="S"/>
                  <bond atomRefs2="a80 a58" order="S"/>
                  <bond atomRefs2="a84 a58" order="S"/>
                  <bond atomRefs2="a89 a58" order="S"/>
                  <bond atomRefs2="a83 a65" order="S"/>
                  <bond atomRefs2="a86 a65" order="S"/>
                  <bond atomRefs2="a83 a67" order="S"/>
                  <bond atomRefs2="a86 a71" order="S"/>
                  <bond atomRefs2="a94 a72" order="S"/>
                  <bond atomRefs2="a93 a73" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a82 a74" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a82 a75" order="S"/>
                  <bond atomRefs2="a88 a75" order="S"/>
                  <bond atomRefs2="a92 a75" order="S"/>
                  <bond atomRefs2="a103 a83" order="S"/>
                  <bond atomRefs2="a109 a107" order="S"/>
               </bondArray>
               <formula concise="H2Cs2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5664.390912</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Cs.2O4P.2H2O.69O.4Tc.20W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;4*+1/p-2/rCs2H2O79P2Tc4W20/c3-82-27-102(17)55-90(9)35-85(6)36-91(10,44-90)50-97-24-2-26-99-48-89(8)32-84(5)31-88(7,43-89)47-98(52-99)25-1-23-96(49-90,51-97,65-102)75(1)86(76(2)97,37-94(13,59-102)46-95(14,38-86)60-103(18,28-82,56-91,66-97)70-105(20,40-85,64-95)73-104(19,39-85,63-94,69-102)79(82)105)81(1,2)87(77(1)98,78(2)99)41-106(21)61-92(11,33-84)45-93(12,34-84)58-101(16,54-89,68-99)30-83(4,29-100(15,53-88,57-92,67-98)71-106)80(106)107(22,42-87,62-93,72-101)74-106/h5-6H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:51;83;26,28,34,40,12;78,80,84,89,58;79;107;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;37;43;45;47;48;53;54;56;57;59;60;61;62;63;64;65;66;67;68;69;70;71;77;81;82;85;87;88;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;108;10;86;8;55;2;3;4;5;38;39;41;42;46;49;50;52;73;74;75;76;1;36;44;72/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OTcHTcO1P4OOOOOOOOOOO3OOO3O4O1OO1OO1OOO1WO1WWOWWO3WOWOOWWCs5WOO1TcOOP4OOOOOOO3O1OOOOOWWWWWOO3OO1OOCs5OO1TcO1O1OOOOO1O1OO1O1OOOOO1O3OOOOOH/rB:;;;;;;;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s5s12;s10;s12;s5s10;s4;s4s8;s2;s10;s1s12;s1;;s5;s11;;s12;;;;;;;;;;s43;s19s23s27s43;;;s46;;;s38;;s46s52;s42s52;s49s50;s38s46;s44s49;s39s49;s41;s49;s41;s44s50;s44s52;s49s55;s46;s7s40s45s47s48;s16s48s56;s7s18s53;s25s47;s6s14s26s33s45s56;s41s50;s42s52s58;s9s55;s58;s52s55;s74s75;s27s53s65s67;s44s58;s36;s27s43s57s65s71;s52;s75;s36s58;s39s55;s42s55;s8s75;s73;s72;s50s51;s42;s44;s38s42;s39s41;s44s46;s36s39;s39;s10s74s83;s8s73;s36s38;s36s41;s8;s36s42;s107;/rC:.1063,6.181,.2664;3.4923,5.7613,1.8758;-2.5229,3.9583,1.0131;.2802,2.9062,-.9724;.4531,6.8242,3.9684;1.4699,4.2701,7.8319;-.676,.3706,4.6969;3.5866,2.5395,.7333;-12.8647,9.1592,11.9764;-2.1918,4.6209,4.7059;-3.7948,6.2594,11.3125;.777,3.4906,2.592;2.2715,6.4776,3.1994;1.1555,6.0985,5.6529;-1.6337,3.1404,-.5756;4.4576,4.8815,3.3463;-1.7824,5.6482,.3413;-2.4105,2.1814,1.818;-4.18,4.03,.4071;2.0123,6.0702,.6095;.3229,4.8721,-1.1674;-.0785,6.8355,2.0781;-2.7861,4.6838,2.7345;4.2206,4.45,.6686;.1655,1.2022,-.0218;.3915,4.396,3.7866;-4.1719,5.0326,5.6967;2.3328,3.5809,2.3069;-1.3167,6.4687,4.5136;.1887,2.4047,-2.6575;2.1514,2.8893,-.6584;4.5414,7.1349,1.5529;-.8761,4.3544,6.2599;.0123,3.9477,1.3101;-.0109,7.6635,-.6674;-7.9127,3.9781,11.0669;.5818,8.5499,4.297;-5.1735,6.4452,10.2295;-11.069,4.2387,9.5378;.4214,2.0052,2.9133;-8.1879,3.2608,7.6348;-8.2182,7.5311,12.2999;-6.9991,6.0303,5.4965;-9.1917,9.3228,6.3362;.8728,2.2595,5.8587;-5.7876,9.0134,7.9557;1.4424,-.4311,3.2165;2.974,1.4828,4.412;-11.7317,7.0134,7.0834;-8.8467,6.0151,5.1975;-5.6904,5.6011,2.8288;-8.8406,10.1142,10.0085;-3.3578,.1123,3.6497;-4.7938,10.4309,7.6227;-11.2419,7.7795,10.7065;2.7943,3.961,5.2822;-4.5197,5.6809,8.645;-8.4929,6.7143,8.7543;-7.0718,9.7593,9.3057;-8.1907,9.4214,11.7366;-10.8182,6.1954,5.5453;-4.857,8.2673,9.5293;-11.0649,8.7334,6.3893;-11.6005,5.264,7.9576;-6.5187,4.0225,7.2697;-13.391,7.018,6.4857;-7.9838,1.684,6.8595;-8.9044,7.9709,4.955;-9.4318,10.0294,8.1411;-11.9376,7.7872,8.8037;-5.0096,7.7293,6.8309;1.2607,.6748,4.8174;4.052,3.1015,4.08;-1.9253,1.1065,3.3732;.8767,.0531,1.3866;.9996,4.199,6.1357;-9.0161,4.3525,6.2305;-9.0609,7.6123,9.9241;-12.9942,8.2325,11.6852;-6.9538,6.9038,8.554;-10.6316,9.6949,10.5751;-.9568,-.0717,2.0778;-4.8389,1.8421,6.0534;-9.2271,7.107,7.4349;-7.4458,2.8681,12.3475;-5.4854,5.7423,6.8475;-8.7897,11.8511,10.2991;1.0099,-1.5017,.5738;-8.7765,5.221,9.1065;-11.463,5.7789,10.5901;-10.1272,7.6385,12.3899;2.5962,.8109,1.0525;5.4435,2.834,5.1219;1.6919,-.4849,6.0633;-8.8807,5.461,3.5181;-7.7798,7.6756,14.0007;-9.334,10.7756,5.3567;-6.4902,7.3458,11.4385;-10.0731,3.0675,8.3186;-7.2941,9.2918,6.7295;-9.8376,3.6036,10.9399;-12.4873,3.2359,9.839;-2.3396,2.575,4.4804;4.6622,2.3283,2.435;-6.2298,4.8475,10.6558;-7.6826,2.8421,9.4937;5.058,1.8214,-.5125;-8.3591,5.5873,12.0755;4.7724,.923,-.7816;/R:/0/N:51,83,80,28,107,79,30,88,66,102,32,93,54,11,35,94,97,85,87,96,37,6,95,67,19,53,84,89,34,40,31,92,24,104,70,90,71,57,81,91,29,33,25,64,16,62,15,82,61,99,77,18,21,47,63,101,20,48,100,105,13,56,59,98,68,106,17,7,69,108,22,45,60,14,43,65,23,103,78,26,27,58,12,8,55,86,10,4,75,49,39,2,73,46,38,50,41,3,74,1,72,44,36,52,42,5,76/E:(1,2)(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)(47,48)(49,50)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(75,76)(77,78)(88,89)(90,91)(92,93)(94,95)(96,97)(98,99)(100,101)(102,103)(104,105)(106,107)/CRV:1.5,2.5,3.1,4.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,75.3,76.3,77.3,78.3,79.3,80.3,81.4,82.4,83.4,84.5,85.5,86.5,87.5</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">3520.64562990</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">11331.89921981</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="15423" startLine="15421">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="15427" startLine="15425">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="15436" startLine="15429">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task GeometryOptimization</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Constraints</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atom 79</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atom 107</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</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 -0.09789291789853571 5.994743698554627 0.2898086689354535 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.256987231173822 5.813123911538316 1.872958374892986 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.606345871797862 3.788237529957286 1.009959459098615 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.19360072924799 2.801564062146099 -0.8744407893096726 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.2097693246805452 6.86225017241556 3.890389714639263 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.356417816910881 4.439001570984709 7.729372405665549 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7022074941636802 0.4461367169571906 4.779781484178285 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc 3.492232952422079 2.582497799802575 0.7753068350591024 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H -13.26637415719441 9.126426684721709 11.46559007893085 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -2.209158431414892 4.579479829510319 4.596527934113562 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.876281094829215 6.303863205616907 11.32574529109624 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P 0.609630986799587 3.56810207497344 2.680328468867046 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.987217078218922 6.439230177183425 3.087085799944332 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.7993584610622655 6.239919093925652 5.622712502210126 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.764305435814862 2.960037987755898 -0.5551892145857655 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.2970576891557 5.028654289215268 3.293985635488193 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.947612431274013 5.475406675926679 0.2932829895787119 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.419879461975256 2.096494835218821 1.871648199223447 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.224940436219926 3.834738254629552 0.4596243965146671 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.763682705041861 5.954950249572059 0.6796710392626419 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1433597577525543 4.727860355280026 -1.127941894430874 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.3235744843722239 6.638113696593137 2.03049909216036 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.739200238606106 4.61514209722205 2.626746017435443 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.024243399067766 4.572049150622331 0.6869367390755476 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1300107665228056 1.201225983108847 0.1602479542393045 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1330038451348781 4.456695679394092 3.808729809451255 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.96808218452278 5.026893963091899 5.586328508594252 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.109703458830007 3.754685528142134 2.473080186504507 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.552667768910339 6.564952147811853 4.440945472069542 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1697196172357316 2.274269642152447 -2.484263330552537 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.014646387721896 2.912471069180891 -0.4863836390522431 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.118810356620754 7.261515838801378 1.513011536704303 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.029517320170387 4.452334189211182 6.325564386594471 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1241300832346877 3.898444460522427 1.347379205871273 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1943872265723972 7.432766565577889 -0.6279478562539644 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.86134176656032 4.101657818956927 10.93702136084124 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.3381788089491131 8.550916259290892 4.061225893445389 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.15308328983158 6.531264994860726 10.19075428587903 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -10.96390106421089 4.294308019527473 9.516938771926412 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.329534162667894 2.066429912169719 2.981678135999318 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.163686982096788 3.306554393399034 7.633502108432799 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.199232362327898 7.576075025288207 12.21203603762815 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.011378519671046 6.117996616179937 5.612472596231454 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -9.12391782529148 9.200269245553672 6.388664904219146 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.711367916766287 2.458746350108486 5.758818602021008 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.769037676219124 9.01864945853734 7.971814610176671 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.389433034108166 -0.3041085318761931 3.360964253236749 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.799961057820196 1.770187981926771 4.412803236822127 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -11.6323707791908 6.993763076956323 7.108815694382308 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.832424178144947 6.007089609145133 5.224415445974014 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Cs -5.697641632003615 5.67969281363025 2.764988852826694 adf.R=2.867</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.816255582712385 10.06777571941458 9.989245949922923 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.306253811498744 0.1248420548138567 3.769139266741333 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.907214550772183 10.46704138580041 7.61186777198799 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -11.23518333880781 7.785005376509357 10.69538416939726 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.565154627504583 4.105367617165887 5.169072041992547 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.485312634911152 5.691938682855929 8.646341904296797 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P -8.416393920593363 6.773627621972476 8.779184704150738 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.03880782917403 9.644755724182446 9.185942035228006 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.22666644633067 9.445444640924681 11.7215687374938 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.79033034320779 6.165563534754934 5.543667020697923 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.728967218237246 8.234179836214306 9.392841870771887 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.97363733866697 8.680932222925721 6.392139224862412 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.44590436936818 5.302020382217862 7.970504434507136 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.525643802480144 4.156473140237341 7.362303524722996 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.25096534361288 7.040263801628592 6.558480631798361 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.943631901516675 1.794182004984293 6.902445443438507 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.882665149640381 7.93338590227907 4.970914340852817 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.349599391765169 9.843639243592175 8.129355327444054 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.76522514599906 7.82066764422109 8.725602252719138 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.00178150832518 7.777574697621366 6.785792974359238 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.164683140832626 0.8961322719578857 4.838165125557563 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.87294161756137 3.325739447861696 4.091898050595354 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.937876156817953 1.088782472528437 3.418082536642717 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.8623379252961545 0.1010288463999913 1.53464587314911 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.8267925450650271 4.370549478289163 6.113179802344447 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.896014140870141 4.40675153010788 6.259104189522996 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.893021062258056 7.662221226393131 9.907586044734972 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.99410709191573 8.232419510090926 11.68518474387793 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.91632144856295 6.960211075141175 8.571936421788203 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.57869267630327 9.770477694810893 10.53980170735324 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.9999582948799697 -0.1265951221524544 2.198326686124115 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Cs -4.738131799516044 1.804941853462749 6.221566942999801 adf.R=2.867</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.15015499062763 7.103970007521466 7.446235441154969 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.349632098169486 3.083594396588594 12.21028411476403 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -5.533791954970864 5.788023346801616 6.874163070342799 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.687846098443826 11.75644180628993 10.16008212872908 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.082393005876265 -1.411343542014745 0.8035892081548139 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.696490744725049 5.271955459168757 9.080534371283012 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.25209687853532 5.748521867570061 10.57411684497232 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.05554222756333 7.657859736210224 12.42442062187819 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.500381104912803 0.9509475932382982 1.2634472894393 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.149743812563711 3.098337658617861 5.226889055812515 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.676392809223467 -0.1219311504104379 6.111427879480341 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.856305290157213 5.479795189151482 3.614592904731159 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.669607090482057 7.644527117983756 13.82822864094924 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.220412133965345 10.63829211257696 5.47090837902972 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.460870279888373 7.310893164164922 11.26792827727624 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.02598320227288 3.078930424846576 8.297182921407796 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.262342202351084 9.160475796571092 6.778527274546334 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.728232401556621 3.65166226395623 10.87863771946198 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.33227871889168 3.330367601812894 9.86799550202503 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.226071971142355 2.542996320571023 4.475260609688632 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.540712272481802 2.486413135856893 2.547485669013103 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.226063849572741 4.975713528925811 10.51165947210582 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.636591873284777 2.901417015122849 9.459820488520441 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.057942722870164 1.821368416092862 -0.5125277266894406 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.314656990626647 5.664271897107522 11.85767483730469 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H 5.289313243470996 0.9297079716304901 -0.2423253322180633 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">         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 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 107 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 79 1.0</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">         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">         36 85 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 89 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 106 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 108 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 98 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 102 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 106 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 96 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 98 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 108 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 84 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 97 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 71 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 70 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 95 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 95 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 87 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 70 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 78 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 80 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 84 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 89 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 40 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 94 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 93 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 82 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 82 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 88 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 6 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 71 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         109 107 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Engine ADF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Basis</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Type TZP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    SpinPolarization 2</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        GGA PBE</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    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">2</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="0.106344"
                        y3="6.181047"
                        z3="0.266442"/>
                  <atom elementType="W"
                        id="a2"
                        x3="3.492256"
                        y3="5.761318"
                        z3="1.875779"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.522872"
                        y3="3.958316"
                        z3="1.013100"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.280157"
                        y3="2.906181"
                        z3="-0.972411"/>
                  <atom elementType="W"
                        id="a5"
                        x3="0.453069"
                        y3="6.824200"
                        z3="3.968379"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.469940"
                        y3="4.270105"
                        z3="7.831873"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.675962"
                        y3="0.370562"
                        z3="4.696869"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="3.586649"
                        y3="2.539523"
                        z3="0.733296"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-12.864671"
                        y3="9.159249"
                        z3="11.976394"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.191780"
                        y3="4.620862"
                        z3="4.705937"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.794767"
                        y3="6.259409"
                        z3="11.312455"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.776964"
                        y3="3.490566"
                        z3="2.591983"/>
                  <atom elementType="O"
                        id="a13"
                        x3="2.271493"
                        y3="6.477643"
                        z3="3.199442"/>
                  <atom elementType="O"
                        id="a14"
                        x3="1.155496"
                        y3="6.098519"
                        z3="5.652860"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.633711"
                        y3="3.140371"
                        z3="-0.575628"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.457569"
                        y3="4.881496"
                        z3="3.346346"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-1.782415"
                        y3="5.648198"
                        z3="0.341329"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.410457"
                        y3="2.181446"
                        z3="1.818037"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.179955"
                        y3="4.030011"
                        z3="0.407100"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.012346"
                        y3="6.070177"
                        z3="0.609492"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.322929"
                        y3="4.872069"
                        z3="-1.167356"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.078482"
                        y3="6.835453"
                        z3="2.078090"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-2.786091"
                        y3="4.683752"
                        z3="2.734525"/>
                  <atom elementType="O"
                        id="a24"
                        x3="4.220590"
                        y3="4.449994"
                        z3="0.668639"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.165513"
                        y3="1.202245"
                        z3="-0.021756"/>
                  <atom elementType="O"
                        id="a26"
                        x3="0.391503"
                        y3="4.395956"
                        z3="3.786569"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.171864"
                        y3="5.032603"
                        z3="5.696704"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.332822"
                        y3="3.580942"
                        z3="2.306877"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.316737"
                        y3="6.468706"
                        z3="4.513559"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.188675"
                        y3="2.404693"
                        z3="-2.657452"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.151372"
                        y3="2.889316"
                        z3="-0.658439"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.541374"
                        y3="7.134860"
                        z3="1.552932"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-0.876124"
                        y3="4.354440"
                        z3="6.259858"/>
                  <atom elementType="O"
                        id="a34"
                        x3="0.012276"
                        y3="3.947679"
                        z3="1.310101"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.010860"
                        y3="7.663505"
                        z3="-0.667401"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-7.912675"
                        y3="3.978140"
                        z3="11.066887"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.581756"
                        y3="8.549865"
                        z3="4.297024"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.173519"
                        y3="6.445206"
                        z3="10.229489"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.069036"
                        y3="4.238727"
                        z3="9.537841"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.421354"
                        y3="2.005193"
                        z3="2.913304"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.187875"
                        y3="3.260794"
                        z3="7.634792"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.218240"
                        y3="7.531097"
                        z3="12.299946"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-6.999093"
                        y3="6.030277"
                        z3="5.496497"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-9.191658"
                        y3="9.322787"
                        z3="6.336244"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.872811"
                        y3="2.259452"
                        z3="5.858653"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.787566"
                        y3="9.013354"
                        z3="7.955734"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.442353"
                        y3="-0.431094"
                        z3="3.216464"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.973958"
                        y3="1.482813"
                        z3="4.412001"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.731736"
                        y3="7.013446"
                        z3="7.083417"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.846716"
                        y3="6.015145"
                        z3="5.197495"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.690411"
                        y3="5.601138"
                        z3="2.828820"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.840589"
                        y3="10.114243"
                        z3="10.008525"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.357782"
                        y3="0.112293"
                        z3="3.649672"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.793782"
                        y3="10.430862"
                        z3="7.622749"/>
                  <atom elementType="Tc"
                        id="a55"
                        x3="-11.241851"
                        y3="7.779535"
                        z3="10.706492"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.794303"
                        y3="3.961037"
                        z3="5.282195"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.519669"
                        y3="5.680901"
                        z3="8.645041"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.492928"
                        y3="6.714273"
                        z3="8.754302"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-7.071777"
                        y3="9.759286"
                        z3="9.305659"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.190721"
                        y3="9.421439"
                        z3="11.736592"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.818203"
                        y3="6.195408"
                        z3="5.545285"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.856996"
                        y3="8.267272"
                        z3="9.529271"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-11.064902"
                        y3="8.733397"
                        z3="6.389306"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.600465"
                        y3="5.263977"
                        z3="7.957576"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.518691"
                        y3="4.022451"
                        z3="7.269661"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.390975"
                        y3="7.017993"
                        z3="6.485673"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-7.983768"
                        y3="1.684008"
                        z3="6.859532"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.904386"
                        y3="7.970923"
                        z3="4.955009"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.431829"
                        y3="10.029382"
                        z3="8.141069"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.937594"
                        y3="7.787238"
                        z3="8.803668"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-5.009569"
                        y3="7.729254"
                        z3="6.830930"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.260708"
                        y3="0.674837"
                        z3="4.817411"/>
                  <atom elementType="W"
                        id="a73"
                        x3="4.052017"
                        y3="3.101548"
                        z3="4.080002"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-1.925346"
                        y3="1.106487"
                        z3="3.373243"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.876734"
                        y3="0.053149"
                        z3="1.386568"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.999551"
                        y3="4.198973"
                        z3="6.135717"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-9.016111"
                        y3="4.352542"
                        z3="6.230452"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-9.060902"
                        y3="7.612272"
                        z3="9.924083"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.994176"
                        y3="8.232463"
                        z3="11.685246"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.953839"
                        y3="6.903813"
                        z3="8.554031"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.631570"
                        y3="9.694922"
                        z3="10.575097"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-0.956810"
                        y3="-0.071653"
                        z3="2.077762"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-4.838896"
                        y3="1.842073"
                        z3="6.053394"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.227067"
                        y3="7.107016"
                        z3="7.434932"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.445765"
                        y3="2.868108"
                        z3="12.347506"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.485372"
                        y3="5.742333"
                        z3="6.847497"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.789713"
                        y3="11.851076"
                        z3="10.299051"/>
                  <atom elementType="O"
                        id="a88"
                        x3="1.009929"
                        y3="-1.501737"
                        z3="0.573834"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.776543"
                        y3="5.221017"
                        z3="9.106470"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.462995"
                        y3="5.778853"
                        z3="10.590105"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.127205"
                        y3="7.638546"
                        z3="12.389937"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.596189"
                        y3="0.810875"
                        z3="1.052521"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.443457"
                        y3="2.833961"
                        z3="5.121859"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.691918"
                        y3="-0.484907"
                        z3="6.063322"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.880697"
                        y3="5.461010"
                        z3="3.518065"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.779793"
                        y3="7.675583"
                        z3="14.000693"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-9.333998"
                        y3="10.775575"
                        z3="5.356745"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.490167"
                        y3="7.345792"
                        z3="11.438452"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.073074"
                        y3="3.067547"
                        z3="8.318575"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.294079"
                        y3="9.291794"
                        z3="6.729545"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-9.837594"
                        y3="3.603613"
                        z3="10.939935"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.487350"
                        y3="3.235905"
                        z3="9.838950"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.339557"
                        y3="2.575032"
                        z3="4.480378"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.662179"
                        y3="2.328282"
                        z3="2.434957"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.229803"
                        y3="4.847516"
                        z3="10.655769"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.682560"
                        y3="2.842080"
                        z3="9.493691"/>
                  <atom elementType="O"
                        id="a107"
                        x3="5.057969"
                        y3="1.821378"
                        z3="-0.512530"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.359089"
                        y3="5.587258"
                        z3="12.075494"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.772429"
                        y3="0.922997"
                        z3="-0.781643"/>
               </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="a76 a6" order="S"/>
                  <bond atomRefs2="a72 a7" order="S"/>
                  <bond atomRefs2="a74 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a92 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a107 a8" order="S"/>
                  <bond atomRefs2="a79 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="a38 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="a51 a19" order="S"/>
                  <bond atomRefs2="a51 a23" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a76 a26" order="S"/>
                  <bond atomRefs2="a51 a27" order="S"/>
                  <bond atomRefs2="a83 a27" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a85 a36" order="S"/>
                  <bond atomRefs2="a89 a36" order="S"/>
                  <bond atomRefs2="a101 a36" order="S"/>
                  <bond atomRefs2="a105 a36" order="S"/>
                  <bond atomRefs2="a106 a36" order="S"/>
                  <bond atomRefs2="a108 a36" order="S"/>
                  <bond atomRefs2="a57 a38" order="S"/>
                  <bond atomRefs2="a62 a38" order="S"/>
                  <bond atomRefs2="a98 a38" order="S"/>
                  <bond atomRefs2="a105 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a90 a39" order="S"/>
                  <bond atomRefs2="a99 a39" order="S"/>
                  <bond atomRefs2="a101 a39" order="S"/>
                  <bond atomRefs2="a102 a39" order="S"/>
                  <bond atomRefs2="a72 a40" order="S"/>
                  <bond atomRefs2="a65 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a77 a41" order="S"/>
                  <bond atomRefs2="a99 a41" order="S"/>
                  <bond atomRefs2="a106 a41" order="S"/>
                  <bond atomRefs2="a60 a42" order="S"/>
                  <bond atomRefs2="a78 a42" order="S"/>
                  <bond atomRefs2="a91 a42" order="S"/>
                  <bond atomRefs2="a96 a42" order="S"/>
                  <bond atomRefs2="a98 a42" order="S"/>
                  <bond atomRefs2="a108 a42" order="S"/>
                  <bond atomRefs2="a50 a43" order="S"/>
                  <bond atomRefs2="a51 a43" order="S"/>
                  <bond atomRefs2="a86 a43" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a68 a44" order="S"/>
                  <bond atomRefs2="a69 a44" order="S"/>
                  <bond atomRefs2="a84 a44" order="S"/>
                  <bond atomRefs2="a97 a44" order="S"/>
                  <bond atomRefs2="a100 a44" order="S"/>
                  <bond atomRefs2="a72 a45" order="S"/>
                  <bond atomRefs2="a76 a45" order="S"/>
                  <bond atomRefs2="a54 a46" order="S"/>
                  <bond atomRefs2="a59 a46" order="S"/>
                  <bond atomRefs2="a62 a46" order="S"/>
                  <bond atomRefs2="a71 a46" order="S"/>
                  <bond atomRefs2="a100 a46" order="S"/>
                  <bond atomRefs2="a72 a47" order="S"/>
                  <bond atomRefs2="a75 a47" order="S"/>
                  <bond atomRefs2="a72 a48" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a61 a49" order="S"/>
                  <bond atomRefs2="a63 a49" order="S"/>
                  <bond atomRefs2="a64 a49" order="S"/>
                  <bond atomRefs2="a66 a49" order="S"/>
                  <bond atomRefs2="a70 a49" order="S"/>
                  <bond atomRefs2="a61 a50" order="S"/>
                  <bond atomRefs2="a68 a50" order="S"/>
                  <bond atomRefs2="a77 a50" order="S"/>
                  <bond atomRefs2="a95 a50" order="S"/>
                  <bond atomRefs2="a95 a51" order="S"/>
                  <bond atomRefs2="a59 a52" order="S"/>
                  <bond atomRefs2="a60 a52" order="S"/>
                  <bond atomRefs2="a69 a52" order="S"/>
                  <bond atomRefs2="a78 a52" order="S"/>
                  <bond atomRefs2="a81 a52" order="S"/>
                  <bond atomRefs2="a87 a52" order="S"/>
                  <bond atomRefs2="a74 a53" order="S"/>
                  <bond atomRefs2="a83 a53" order="S"/>
                  <bond atomRefs2="a70 a55" order="S"/>
                  <bond atomRefs2="a79 a55" order="S"/>
                  <bond atomRefs2="a81 a55" order="S"/>
                  <bond atomRefs2="a90 a55" order="S"/>
                  <bond atomRefs2="a91 a55" order="S"/>
                  <bond atomRefs2="a73 a56" order="S"/>
                  <bond atomRefs2="a76 a56" order="S"/>
                  <bond atomRefs2="a86 a57" order="S"/>
                  <bond atomRefs2="a78 a58" order="S"/>
                  <bond atomRefs2="a80 a58" order="S"/>
                  <bond atomRefs2="a84 a58" order="S"/>
                  <bond atomRefs2="a89 a58" order="S"/>
                  <bond atomRefs2="a83 a65" order="S"/>
                  <bond atomRefs2="a86 a65" order="S"/>
                  <bond atomRefs2="a83 a67" order="S"/>
                  <bond atomRefs2="a86 a71" order="S"/>
                  <bond atomRefs2="a94 a72" order="S"/>
                  <bond atomRefs2="a93 a73" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a82 a74" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a82 a75" order="S"/>
                  <bond atomRefs2="a88 a75" order="S"/>
                  <bond atomRefs2="a92 a75" order="S"/>
                  <bond atomRefs2="a103 a83" order="S"/>
                  <bond atomRefs2="a109 a107" order="S"/>
               </bondArray>
               <formula concise="H2Cs2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5664.390912</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Cs.2O4P.2H2O.69O.4Tc.20W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;4*+1/p-2/rCs2H2O79P2Tc4W20/c3-82-27-102(17)55-90(9)35-85(6)36-91(10,44-90)50-97-24-2-26-99-48-89(8)32-84(5)31-88(7,43-89)47-98(52-99)25-1-23-96(49-90,51-97,65-102)75(1)86(76(2)97,37-94(13,59-102)46-95(14,38-86)60-103(18,28-82,56-91,66-97)70-105(20,40-85,64-95)73-104(19,39-85,63-94,69-102)79(82)105)81(1,2)87(77(1)98,78(2)99)41-106(21)61-92(11,33-84)45-93(12,34-84)58-101(16,54-89,68-99)30-83(4,29-100(15,53-88,57-92,67-98)71-106)80(106)107(22,42-87,62-93,72-101)74-106/h5-6H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:51;83;26,28,34,40,12;78,80,84,89,58;79;107;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;37;43;45;47;48;53;54;56;57;59;60;61;62;63;64;65;66;67;68;69;70;71;77;81;82;85;87;88;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;108;10;86;8;55;2;3;4;5;38;39;41;42;46;49;50;52;73;74;75;76;1;36;44;72/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OTcHTcO1P4OOOOOOOOOOO3OOO3O4O1OO1OO1OOO1WO1WWOWWO3WOWOOWWCs5WOO1TcOOP4OOOOOOO3O1OOOOOWWWWWOO3OO1OOCs5OO1TcO1O1OOOOO1O1OO1O1OOOOO1O3OOOOOH/rB:;;;;;;;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s5s12;s10;s12;s5s10;s4;s4s8;s2;s10;s1s12;s1;;s5;s11;;s12;;;;;;;;;;s43;s19s23s27s43;;;s46;;;s38;;s46s52;s42s52;s49s50;s38s46;s44s49;s39s49;s41;s49;s41;s44s50;s44s52;s49s55;s46;s7s40s45s47s48;s16s48s56;s7s18s53;s25s47;s6s14s26s33s45s56;s41s50;s42s52s58;s9s55;s58;s52s55;s74s75;s27s53s65s67;s44s58;s36;s27s43s57s65s71;s52;s75;s36s58;s39s55;s42s55;s8s75;s73;s72;s50s51;s42;s44;s38s42;s39s41;s44s46;s36s39;s39;s10s74s83;s8s73;s36s38;s36s41;s8;s36s42;s107;/rC:.1063,6.181,.2664;3.4923,5.7613,1.8758;-2.5229,3.9583,1.0131;.2802,2.9062,-.9724;.4531,6.8242,3.9684;1.4699,4.2701,7.8319;-.676,.3706,4.6969;3.5866,2.5395,.7333;-12.8647,9.1592,11.9764;-2.1918,4.6209,4.7059;-3.7948,6.2594,11.3125;.777,3.4906,2.592;2.2715,6.4776,3.1994;1.1555,6.0985,5.6529;-1.6337,3.1404,-.5756;4.4576,4.8815,3.3463;-1.7824,5.6482,.3413;-2.4105,2.1814,1.818;-4.18,4.03,.4071;2.0123,6.0702,.6095;.3229,4.8721,-1.1674;-.0785,6.8355,2.0781;-2.7861,4.6838,2.7345;4.2206,4.45,.6686;.1655,1.2022,-.0218;.3915,4.396,3.7866;-4.1719,5.0326,5.6967;2.3328,3.5809,2.3069;-1.3167,6.4687,4.5136;.1887,2.4047,-2.6575;2.1514,2.8893,-.6584;4.5414,7.1349,1.5529;-.8761,4.3544,6.2599;.0123,3.9477,1.3101;-.0109,7.6635,-.6674;-7.9127,3.9781,11.0669;.5818,8.5499,4.297;-5.1735,6.4452,10.2295;-11.069,4.2387,9.5378;.4214,2.0052,2.9133;-8.1879,3.2608,7.6348;-8.2182,7.5311,12.2999;-6.9991,6.0303,5.4965;-9.1917,9.3228,6.3362;.8728,2.2595,5.8587;-5.7876,9.0134,7.9557;1.4424,-.4311,3.2165;2.974,1.4828,4.412;-11.7317,7.0134,7.0834;-8.8467,6.0151,5.1975;-5.6904,5.6011,2.8288;-8.8406,10.1142,10.0085;-3.3578,.1123,3.6497;-4.7938,10.4309,7.6227;-11.2419,7.7795,10.7065;2.7943,3.961,5.2822;-4.5197,5.6809,8.645;-8.4929,6.7143,8.7543;-7.0718,9.7593,9.3057;-8.1907,9.4214,11.7366;-10.8182,6.1954,5.5453;-4.857,8.2673,9.5293;-11.0649,8.7334,6.3893;-11.6005,5.264,7.9576;-6.5187,4.0225,7.2697;-13.391,7.018,6.4857;-7.9838,1.684,6.8595;-8.9044,7.9709,4.955;-9.4318,10.0294,8.1411;-11.9376,7.7872,8.8037;-5.0096,7.7293,6.8309;1.2607,.6748,4.8174;4.052,3.1015,4.08;-1.9253,1.1065,3.3732;.8767,.0531,1.3866;.9996,4.199,6.1357;-9.0161,4.3525,6.2305;-9.0609,7.6123,9.9241;-12.9942,8.2325,11.6852;-6.9538,6.9038,8.554;-10.6316,9.6949,10.5751;-.9568,-.0717,2.0778;-4.8389,1.8421,6.0534;-9.2271,7.107,7.4349;-7.4458,2.8681,12.3475;-5.4854,5.7423,6.8475;-8.7897,11.8511,10.2991;1.0099,-1.5017,.5738;-8.7765,5.221,9.1065;-11.463,5.7789,10.5901;-10.1272,7.6385,12.3899;2.5962,.8109,1.0525;5.4435,2.834,5.1219;1.6919,-.4849,6.0633;-8.8807,5.461,3.5181;-7.7798,7.6756,14.0007;-9.334,10.7756,5.3567;-6.4902,7.3458,11.4385;-10.0731,3.0675,8.3186;-7.2941,9.2918,6.7295;-9.8376,3.6036,10.9399;-12.4873,3.2359,9.839;-2.3396,2.575,4.4804;4.6622,2.3283,2.435;-6.2298,4.8475,10.6558;-7.6826,2.8421,9.4937;5.058,1.8214,-.5125;-8.3591,5.5873,12.0755;4.7724,.923,-.7816;/R:/0/N:51,83,80,28,107,79,30,88,66,102,32,93,54,11,35,94,97,85,87,96,37,6,95,67,19,53,84,89,34,40,31,92,24,104,70,90,71,57,81,91,29,33,25,64,16,62,15,82,61,99,77,18,21,47,63,101,20,48,100,105,13,56,59,98,68,106,17,7,69,108,22,45,60,14,43,65,23,103,78,26,27,58,12,8,55,86,10,4,75,49,39,2,73,46,38,50,41,3,74,1,72,44,36,52,42,5,76/E:(1,2)(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)(47,48)(49,50)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(75,76)(77,78)(88,89)(90,91)(92,93)(94,95)(96,97)(98,99)(100,101)(102,103)(104,105)(106,107)/CRV:1.5,2.5,3.1,4.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,75.3,76.3,77.3,78.3,79.3,80.3,81.4,82.4,83.4,84.5,85.5,86.5,87.5</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>155310.09827400</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>1221.77235600</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>161338.44577503</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="109">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H 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 W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs 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 H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="109">2.475725 2.460817 2.452478 2.461512 2.468685 -0.824100 -0.937878 2.334499 0.059591 2.093910 -0.839124 1.983484 -0.956578 -0.944465 -0.953435 -0.949241 -0.938018 -0.960822 -0.854780 -0.954107 -0.942474 -0.948618 -1.057937 -0.993435 -0.959750 -1.039950 -1.151555 -1.060230 -0.996987 -0.824101 -1.010870 -0.817445 -0.997207 -1.027522 -0.806651 2.457487 -0.823393 2.449073 2.456722 -1.027329 2.436896 2.456872 -1.055019 2.457281 -0.948362 2.449512 -0.942448 -0.954061 2.456096 2.436930 1.032987 2.457749 -0.851194 -0.838510 2.312163 -0.957666 -0.994273 1.985146 -0.965587 -0.960713 -0.966227 -0.966119 -0.953960 -0.967075 -1.053097 -0.840607 -0.870665 -0.945688 -0.963213 -1.021087 -0.993527 2.475700 2.459855 2.452597 2.462820 2.468859 -0.972855 -1.052674 -0.672448 -1.038997 -1.002918 -0.952205 1.032141 -1.025873 -0.821361 2.234738 -0.834994 -0.820041 -1.025882 -1.018070 -1.008198 -1.005881 -0.819878 -0.806793 -0.869862 -0.837721 -0.821453 -0.966901 -0.965059 -0.956487 -0.953887 -0.837423 -1.057499 -0.996981 -0.956908 -0.946203 -0.668797 -0.963408 0.062436</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">1.909469 1.905258 1.906863 1.904767 1.911329 -0.729446 -0.746291 1.576104 0.367440 1.455337 -0.747840 1.575792 -0.714247 -0.771145 -0.771365 -0.772315 -0.746789 -0.704660 -0.724442 -0.718743 -0.768554 -0.706032 -0.792001 -0.792386 -0.717342 -0.768375 -0.887428 -0.753420 -0.800475 -0.729646 -0.764586 -0.720139 -0.800554 -0.743542 -0.711957 1.896496 -0.728595 1.892203 1.903247 -0.745015 1.893562 1.896271 -0.788131 1.895952 -0.705589 1.892987 -0.769540 -0.720016 1.901001 1.893074 0.772642 1.890722 -0.723002 -0.747068 1.565413 -0.714469 -0.801223 1.573503 -0.722256 -0.787406 -0.790778 -0.798016 -0.779949 -0.721223 -0.787205 -0.750884 -0.743376 -0.757730 -0.728087 -0.774470 -0.800820 1.908992 1.903045 1.907258 1.902892 1.911261 -0.720350 -0.750517 -0.869808 -0.759868 -0.783181 -0.771975 0.772445 -0.735162 -0.731156 1.632167 -0.743983 -0.724963 -0.734810 -0.766184 -0.804589 -0.744787 -0.723017 -0.712098 -0.744240 -0.745891 -0.731209 -0.721494 -0.790084 -0.715525 -0.779093 -0.746999 -0.791885 -0.798438 -0.716406 -0.758351 -0.850629 -0.726253 0.364023</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">2.018559 2.001602 1.993253 2.010893 2.007941 -0.697781 -0.797547 1.832093 0.392963 1.567772 -0.717424 1.548997 -0.797493 -0.815660 -0.814104 -0.819201 -0.799009 -0.806737 -0.702222 -0.798741 -0.806398 -0.793951 -0.823955 -0.834487 -0.801066 -0.829125 -0.911088 -0.830816 -0.815211 -0.693563 -0.879017 -0.683663 -0.818510 -0.806187 -0.673564 2.007482 -0.695651 1.989271 2.003466 -0.818933 1.981705 2.004074 -0.826876 2.007727 -0.790079 1.987653 -0.810166 -0.798138 2.004280 1.984735 0.848704 2.000925 -0.700128 -0.715592 1.800340 -0.798178 -0.819556 1.542578 -0.800357 -0.833774 -0.834804 -0.839973 -0.820127 -0.808650 -0.821632 -0.712381 -0.718669 -0.808289 -0.810694 -0.877895 -0.817659 2.018462 2.000628 1.991306 2.004368 2.010954 -0.820053 -0.801889 -0.878145 -0.833594 -0.860149 -0.811016 0.847490 -0.800989 -0.693638 1.737621 -0.707837 -0.689399 -0.816234 -0.844710 -0.876540 -0.842257 -0.687784 -0.674918 -0.719493 -0.709396 -0.692332 -0.801819 -0.831157 -0.804636 -0.818877 -0.707962 -0.817145 -0.854375 -0.802885 -0.809322 -0.863113 -0.808594 0.377141</array>
                  </list>
               </module>
               <module cmlx:templateRef="spin.density" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spinDensity">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="109">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H 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 W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs 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 H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="109">0.016312 0.024110 0.035697 0.022924 0.033791 0.013323 0.004643 2.036437 -0.012989 2.546946 -0.013340 0.005468 0.004764 0.033825 0.008654 0.034016 0.004652 0.030897 0.017157 0.005248 0.005854 0.004835 0.101829 0.137409 0.033431 0.043368 -0.100549 0.023953 0.104356 0.021125 0.124799 0.013159 0.104102 0.001109 -0.000534 0.042144 0.013345 0.002800 -0.017772 0.001210 0.000635 -0.013680 -0.055118 0.042830 0.004794 0.002778 0.006028 0.004939 -0.017141 0.000713 -0.001545 -0.014107 0.017141 -0.013349 -1.963189 0.004484 -0.058573 -0.000427 0.007579 -0.029671 0.006173 -0.004894 -0.001070 -0.031706 -0.054397 -0.022011 -0.018472 -0.003869 -0.001267 -0.123455 -0.058131 0.016360 0.021964 0.035059 0.023957 0.033547 -0.007184 -0.019035 -0.134877 -0.000106 -0.127369 0.008657 -0.001603 -0.000882 -0.001653 -1.200508 -0.010967 0.024090 -0.001041 -0.142993 -0.115283 0.143737 0.011093 -0.000528 -0.018405 -0.010550 -0.001678 0.007601 0.006148 -0.003207 -0.001620 -0.025289 0.101099 0.119621 -0.003303 -0.003896 0.141069 -0.000730 0.014170</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">0.014829 0.028404 0.034682 0.025634 0.035769 0.015513 0.007146 1.558666 -0.053096 2.003901 -0.013344 0.008839 0.003438 0.038094 0.008672 0.037783 0.007242 0.034357 0.019664 0.010222 0.008621 0.009729 0.181794 0.209536 0.035326 0.067469 -0.037920 0.060810 0.192539 0.024552 0.187635 0.016186 0.192455 0.006328 0.000478 0.034070 0.015536 -0.000112 -0.022499 0.006263 -0.001171 -0.017723 -0.084967 0.034773 0.009638 -0.000107 0.008828 0.009184 -0.020935 -0.001124 0.003340 -0.018156 0.019618 -0.013346 -1.503914 0.003172 -0.088545 -0.003297 0.007810 -0.031502 0.006040 -0.005822 -0.002381 -0.034400 -0.084218 -0.025186 -0.018719 -0.002799 -0.004255 -0.187161 -0.088131 0.014777 0.025728 0.034099 0.026940 0.035530 -0.008255 -0.051879 -0.223086 -0.015664 -0.179922 0.008670 0.003616 -0.004389 0.000023 -0.973608 -0.012814 0.027696 -0.004774 -0.211886 -0.175332 0.198486 0.013612 0.000465 -0.018671 -0.012285 0.000059 0.007790 0.006029 -0.002709 -0.003507 -0.029022 0.180812 0.185284 -0.002869 -0.002849 0.229677 -0.004233 0.058706</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">0.014975 0.021527 0.033888 0.021370 0.031249 0.013193 0.009667 1.544806 -0.035268 2.027850 -0.013223 0.005377 0.002047 0.034337 0.009509 0.033586 0.009623 0.034520 0.018046 0.011102 0.009087 0.011622 0.183924 0.233560 0.034898 0.061361 -0.049025 0.050175 0.199701 0.022093 0.207466 0.013377 0.200311 0.005661 0.000200 0.034671 0.013075 0.001310 -0.016275 0.006325 -0.000039 -0.016011 -0.085602 0.034676 0.011753 0.001326 0.010468 0.012460 -0.016068 -0.000198 0.001759 -0.016392 0.017941 -0.013306 -1.493419 0.003540 -0.092658 -0.001229 0.008603 -0.029430 0.007479 -0.003259 -0.002447 -0.030569 -0.085111 -0.024238 -0.018475 -0.003258 -0.007631 -0.207621 -0.092030 0.015621 0.021760 0.032917 0.022804 0.031825 -0.006296 -0.049628 -0.223028 -0.012322 -0.185258 0.008799 0.002007 -0.003832 -0.000258 -0.981807 -0.011258 0.025190 -0.002499 -0.235371 -0.186699 0.210084 0.011369 0.000428 -0.018434 -0.010314 -0.000481 0.008296 0.008068 -0.003918 -0.002844 -0.027874 0.182107 0.203817 -0.003606 -0.003366 0.222735 -0.005669 0.044223</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-773.444946</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">580.650114</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">158.577062</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-800.052893</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-87.402796</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-921.673460</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="109">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H 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 W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs 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 H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="109">2.42464807 2.39461670 2.47366206 2.39421573 2.40536575 -0.79535543 -0.96165456 2.03465832 0.27943208 1.67660144 -0.80818593 2.45020891 -0.95134174 -0.96257760 -0.97302951 -0.96048503 -0.96184429 -0.97853304 -0.81489468 -0.95189050 -0.96074222 -0.95262675 -1.00652026 -0.94973492 -0.95709924 -0.97186988 -0.94798326 -1.03550919 -0.95967311 -0.79204040 -0.96566103 -0.78852974 -0.95923986 -1.02084172 -0.78019737 2.39255736 -0.79466082 2.36649837 2.37843222 -1.02097975 2.44263695 2.38072691 -1.00197241 2.39220194 -0.95254012 2.36716722 -0.96051201 -0.95203640 2.37675456 2.44112725 0.88330459 2.38623384 -0.81223423 -0.80786106 1.97065894 -0.95218820 -0.95068954 2.46499408 -0.95478508 -0.96612336 -0.98025501 -0.97225566 -0.96533292 -0.95767464 -1.00091580 -0.80541968 -0.82882618 -0.96241603 -0.95480056 -0.96768877 -0.94937559 2.42498539 2.39304537 2.47227265 2.39947283 2.40621745 -0.98182130 -1.01945988 -0.82677057 -0.99433141 -0.95875489 -0.97174196 0.88452546 -1.02152760 -0.79311532 1.97169433 -0.80273273 -0.78912664 -1.02081018 -0.96494425 -0.95292530 -0.96598341 -0.79012089 -0.78039264 -0.82817794 -0.80483639 -0.79317960 -0.95599368 -0.97934598 -0.95365902 -0.96497411 -0.80336562 -1.00549868 -0.94967630 -0.95372517 -0.96347421 -0.82451702 -0.95528068 0.28095166</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">0.02102930 0.02715338 0.04412166 0.02747439 0.03834271 0.01213386 0.00111948 2.35212594 -0.00879755 2.94432284 -0.01331035 0.00809752 0.00401512 0.03337914 0.00865781 0.03400129 0.00107051 0.02929975 0.01566741 0.00233026 0.00307866 0.00123118 0.03033924 0.08003006 0.03264018 0.00645995 -0.13567224 -0.00787739 0.03363391 0.02029902 0.06815580 0.01253689 0.03349266 0.00026583 -0.00131130 0.05485398 0.01215278 0.00510510 -0.02022189 0.00032030 0.00127356 -0.01489091 -0.02243074 0.05570661 0.00122914 0.00511333 0.00309589 0.00212253 -0.02025075 0.00137481 -0.00272794 -0.01433843 0.01571251 -0.01334487 -2.26783005 0.00372744 -0.02776742 -0.00178704 0.00756133 -0.03016897 0.00613365 -0.00508602 -0.00223745 -0.03149671 -0.02169439 -0.02147416 -0.01826894 -0.00772213 -0.00260582 -0.06982148 -0.02747146 0.02106929 0.02507821 0.04332443 0.02766684 0.03795029 -0.00714521 0.00725415 -0.07615568 0.00920791 -0.07364034 0.00873226 -0.00286588 -0.00045293 -0.00353059 -1.38041507 -0.01079097 0.02345816 -0.00048450 -0.08770209 -0.06316736 0.08549626 0.01031353 -0.00130872 -0.01819223 -0.01017577 -0.00358690 0.00757317 0.00607799 -0.00696151 -0.00269637 -0.02497423 0.02988657 0.06451650 -0.00701337 -0.00771121 0.08257765 -0.00199664 0.00940209</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">74.05665515 -101.79917777 -113.75527644</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">152.654301</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-75.81595842 1571.79776845 2170.85111280 461.72046254 -2047.40456403 -385.90450412</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">2.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">6.44620264</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="4406">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 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</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="4406">1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 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 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 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</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="4406"
                            units="nonsi:electronvolt">-79.826456 -79.825202 -79.711724 -79.691070 -79.682157 -79.679586 -79.677062 -79.656594 -79.652582 -79.648599 -79.570424 -79.570040 -79.493472 -79.471164 -79.458200 -79.440296 -79.409968 -79.404268 -79.396300 -79.390284 -44.646327 -44.645287 -44.542737 -44.517165 -44.512840 -44.510658 -44.506727 -44.497556 -44.487619 -44.475727 -44.471484 -44.465072 -44.463348 -44.440226 -44.427532 -44.427090 -44.398394 -44.376265 -44.366600 -44.359311 -44.357760 -44.352176 -44.344161 -44.334822 -44.330461 -44.330411 -44.325501 -44.312969 -44.306895 -44.302285 -44.293564 -44.292995 -44.288818 -44.281999 -44.277352 -44.269673 -44.257809 -44.253589 -44.245506 -44.239584 -44.235101 -44.224713 -44.206902 -44.199605 -44.169996 -44.134917 -44.133503 -44.116025 -44.107368 -44.093895 -44.091016 -44.081213 -44.078074 -44.071884 -44.051562 -44.041261 -44.033347 -44.031907 -44.021503 -44.016550 -26.555580 -26.427122 -25.292962 -25.283456 -24.274931 -24.201259 -24.118246 -24.111087 -24.086707 -23.999239 -23.489710 -23.323235 -23.251445 -23.233367 -23.147436 -23.138080 -23.134525 -23.025641 -23.001790 -22.919480 -22.903466 -22.884151 -22.875445 -22.864429 -22.730807 -22.723075 -22.694200 -22.688249 -22.642809 -22.619932 -22.605329 -22.507303 -22.503509 -22.494874 -22.439344 -22.425314 -22.415097 -22.399588 -22.367953 -22.352435 -22.341137 -22.299693 -22.289616 -22.286136 -22.281720 -22.272505 -22.266099 -22.255740 -22.247373 -22.243443 -22.230738 -22.215284 -22.206618 -22.188253 -22.183917 -22.176317 -22.161811 -22.156542 -22.143238 -22.114399 -22.094444 -22.089778 -22.081897 -22.069521 -22.065430 -22.049094 -22.037878 -22.025634 -22.009655 -21.997265 -21.954818 -21.918868 -21.910033 -21.877488 -21.859275 -21.819888 -21.817077 -21.674720 -21.619942 -21.556800 -21.536891 -14.333512 -14.200706 -12.375931 -12.336550 -12.312528 -12.307441 -12.276682 -12.269545 -12.183534 -12.043347 -11.984897 -11.972999 -11.899472 -11.860019 -11.844279 -11.797580 -11.580282 -11.538336 -11.422306 -11.379690 -11.182559 -11.127881 -11.100858 -11.090375 -11.045319 -11.014854 -10.960688 -10.952739 -10.890704 -10.854351 -10.823021 -10.751036 -10.741668 -10.660467 -10.618953 -10.615355 -10.583393 -10.532888 -10.469763 -10.430984 -10.376097 -10.339925 -10.329258 -10.278608 -10.235699 -10.208916 -10.197462 -10.189394 -10.159549 -10.137605 -10.128207 -10.125145 -10.061682 -10.028581 -9.972071 -9.934547 -9.912982 -9.865382 -9.733284 -9.691674 -9.684176 -9.679782 -9.644747 -9.638943 -9.565720 -9.545336 -9.492535 -9.484804 -9.469399 -9.426024 -9.404380 -9.391256 -9.384050 -9.365813 -9.361929 -9.350421 -9.340394 -9.311628 -9.265470 -9.252859 -9.226410 -9.216226 -9.186406 -9.177070 -9.137633 -9.124244 -9.120049 -9.101513 -9.075301 -9.059143 -9.011826 -9.007813 -8.995696 -8.991233 -8.988129 -8.972321 -8.959557 -8.936211 -8.922483 -8.912670 -8.893984 -8.866315 -8.845758 -8.826476 -8.806029 -8.796054 -8.791189 -8.785908 -8.777313 -8.749633 -8.742487 -8.723101 -8.720300 -8.701622 -8.693932 -8.665374 -8.637938 -8.616632 -8.614518 -8.596493 -8.593864 -8.583783 -8.554474 -8.513277 -8.490803 -8.477101 -8.444786 -8.437193 -8.425316 -8.423747 -8.349626 -8.335694 -8.320644 -8.271318 -8.250370 -8.235023 -8.228751 -8.217957 -8.191087 -8.187741 -8.138028 -8.120639 -8.119819 -8.110906 -8.081969 -8.060875 -8.018634 -8.007659 -7.981938 -7.931371 -7.895206 -7.857196 -7.838210 -7.819707 -7.760089 -7.753658 -7.721409 -7.707110 -7.703745 -7.660021 -7.649938 -7.633526 -7.598352 -7.541834 -7.529945 -7.511287 -7.483871 -7.428186 -7.382244 -7.374459 -7.337303 -7.325848 -7.310923 -7.274659 -7.243046 -7.242194 -7.219594 -7.142843 -7.119451 -7.109361 -7.093286 -7.044380 -7.039906 -7.000999 -6.980537 -6.959483 -6.952871 -6.902379 -6.888943 -6.875035 -6.865097 -6.846609 -6.818960 -6.801217 -6.786366 -6.768818 -6.729715 -6.719096 -6.712522 -6.689145 -6.664484 -6.656514 -6.644130 -6.626992 -6.621273 -6.598037 -6.594260 -6.584366 -6.558631 -6.553346 -6.547102 -6.531181 -6.511891 -6.481812 -6.464285 -6.448606 -6.444790 -6.434220 -6.400576 -6.388392 -6.369727 -6.365353 -6.359793 -6.349510 -6.315119 -6.303930 -6.282068 -6.258888 -6.238336 -6.206166 -6.197164 -6.145599 -6.144137 -6.081127 -6.030773 -5.995772 -5.979672 -5.899231 -5.849236 -5.835444 -5.823425 -5.733815 -5.561883 -4.898873 -4.606964 -4.590726 -4.404662 -4.356458 -4.331504 -3.726030 -3.381033 -3.144652 -3.082797 -3.072243 -2.945911 -2.885356 -2.794406 -2.773720 -2.733600 -2.665778 -2.482713 -2.453762 -2.437558 -2.437323 -2.423744 -2.411910 -2.324663 -2.310144 -2.248626 -2.246751 -2.225972 -2.109376 -2.106005 -2.073308 -2.057586 -2.024325 -2.013393 -2.005255 -1.963790 -1.912122 -1.890233 -1.886302 -1.866795 -1.809735 -1.771097 -1.721968 -1.683067 -1.674958 -1.646225 -1.610260 -1.596888 -1.591630 -1.528011 -1.463423 -1.437513 -1.405200 -1.366300 -1.348553 -1.278680 -1.257275 -1.204468 -1.200673 -1.167107 -1.136485 -1.124779 -1.115740 -1.048312 -1.045286 -1.038574 -1.024595 -1.018765 -1.016406 -0.999727 -0.925054 -0.866413 -0.829401 -0.782934 -0.763821 -0.708219 -0.628950 -0.589479 -0.544273 -0.261386 -0.164555 -0.135679 -0.129204 -0.033684 0.019193 0.064953 0.126361 0.213728 0.243159 0.315815 0.407016 0.466859 0.512340 0.518750 0.609845 0.611646 0.647027 0.710907 0.789641 0.816532 0.824761 0.830250 0.860500 0.911696 0.915562 0.960858 0.977250 0.988541 0.998626 1.053891 1.067039 1.128885 1.161763 1.176946 1.197265 1.266904 1.282505 1.306576 1.330480 1.359937 1.412885 1.464310 1.536748 1.546531 1.574395 1.595493 1.610721 1.672713 1.698996 1.743920 1.751967 1.765827 1.807196 1.925711 1.969764 2.005251 2.028698 2.077434 2.094800 2.141600 2.254333 2.372192 2.465680 2.477512 2.521877 2.696881 2.714887 2.779888 2.828803 2.852666 2.890049 2.938702 2.980216 3.026059 3.046264 3.087779 3.139926 3.233103 3.290562 3.385468 3.407018 3.452201 3.484785 3.527477 3.549223 3.598028 3.688084 3.695257 3.720842 3.742349 3.781303 3.824472 3.853666 3.873055 3.986079 4.083351 4.111852 4.157077 4.188442 4.254408 4.320798 4.332052 4.397989 4.436277 4.470163 4.482918 4.542024 4.623765 4.625950 4.698652 4.735166 4.758910 4.870668 4.873387 4.878240 4.919617 4.923488 4.982621 5.050315 5.074279 5.123438 5.161344 5.201921 5.221280 5.287969 5.324649 5.342195 5.351820 5.423163 5.459538 5.492679 5.563996 5.603635 5.681350 5.739203 5.787975 5.828682 5.895779 5.939182 5.944768 5.958920 6.037228 6.049067 6.084663 6.129168 6.143504 6.190614 6.209520 6.341846 6.405874 6.431110 6.460926 6.533725 6.604253 6.613559 6.719603 6.750893 6.783607 6.787310 6.833335 6.862733 6.905264 6.997646 7.030219 7.059273 7.111509 7.121863 7.147926 7.235694 7.275729 7.294692 7.318663 7.344663 7.360282 7.382436 7.426441 7.459194 7.476464 7.487636 7.563361 7.596295 7.618917 7.671568 7.692152 7.716628 7.749324 7.780240 7.812187 7.850668 7.881402 7.896711 7.981128 8.046776 8.071083 8.097513 8.153323 8.200082 8.304753 8.336726 8.362306 8.401362 8.453090 8.502729 8.530544 8.548754 8.570491 8.631604 8.667009 8.699431 8.723517 8.828731 8.840545 8.903512 8.973754 9.002686 9.058333 9.074401 9.104664 9.152074 9.200954 9.210075 9.228977 9.251799 9.279039 9.332713 9.360393 9.389595 9.431219 9.494553 9.524192 9.554632 9.603859 9.619198 9.662357 9.679385 9.718301 9.776704 9.844167 9.872523 9.886042 9.950758 10.006961 10.056700 10.062616 10.104127 10.149508 10.203705 10.221161 10.296781 10.323068 10.340384 10.361996 10.387623 10.465873 10.477657 10.515110 10.536993 10.563419 10.629783 10.642933 10.697929 10.755425 10.801568 10.832751 10.834544 10.871071 10.941072 10.966702 11.006256 11.019873 11.104759 11.116973 11.161981 11.180938 11.263371 11.334712 11.379226 11.417906 11.421073 11.441422 11.557610 11.609982 11.651929 11.696757 11.744210 11.776487 11.815353 11.855595 11.876172 11.931954 11.986320 12.006219 12.070586 12.105673 12.131034 12.189744 12.237491 12.265526 12.279415 12.336831 12.415917 12.433012 12.452621 12.484448 12.546903 12.681558 12.703551 12.747996 12.808321 12.914474 12.946597 13.047829 13.099269 13.121904 13.208771 13.290399 13.313524 13.374427 13.458557 13.495217 13.523412 13.635801 13.774667 13.820245 13.893702 13.903497 13.991742 14.038091 14.050703 14.085362 14.157833 14.274143 14.499850 14.538276 14.604548 14.614279 14.702305 14.767502 14.787368 14.869537 14.924961 14.988337 15.006809 15.097293 15.165875 15.332327 15.382412 15.478263 15.580914 15.611993 15.663888 15.682527 15.919462 15.937664 15.967394 16.061759 16.144418 16.189345 16.300891 16.391006 16.429038 16.523288 16.575368 16.624702 16.695317 16.843121 16.903056 17.041031 17.083679 17.239556 17.291217 17.353537 17.418033 17.502165 17.524640 17.563461 17.600909 17.623522 17.642488 17.714043 17.755213 17.769969 17.833081 17.871032 17.945160 17.965030 18.030707 18.087406 18.122915 18.156839 18.278129 18.294098 18.340876 18.379214 18.426709 18.451263 18.489593 18.512243 18.563973 18.680280 18.714438 18.753503 18.792381 18.825056 18.867577 18.913078 18.936161 19.001993 19.014319 19.170572 19.250890 19.337890 19.392333 19.439526 19.478793 19.513739 19.578064 19.614940 19.692633 19.749821 19.802145 19.840565 19.919356 19.963419 20.018709 20.062088 20.102042 20.164485 20.167505 20.191550 20.298119 20.341865 20.383819 20.442891 20.499967 20.562809 20.571393 20.648042 20.685141 20.721879 20.762143 20.822241 20.859916 20.884339 20.907650 20.965171 21.014354 21.065968 21.098660 21.146580 21.264353 21.285953 21.365848 21.457702 21.487719 21.569111 21.570988 21.640157 21.648603 21.722640 21.759207 21.834033 21.930809 22.030413 22.106155 22.126596 22.153483 22.203708 22.305773 22.354089 22.378325 22.473442 22.520428 22.596492 22.616594 22.651353 22.701778 22.827116 22.829402 22.928313 23.034276 23.092036 23.120804 23.144014 23.173664 23.214664 23.252353 23.268940 23.298312 23.418902 23.500146 23.522030 23.586591 23.654466 23.751534 23.768342 23.871201 23.971892 23.990866 24.047341 24.146948 24.167637 24.187230 24.300402 24.312075 24.361358 24.411648 24.476475 24.559435 24.649395 24.710215 24.802411 24.871204 24.933111 24.998567 25.074761 25.127663 25.186435 25.230850 25.318586 25.334024 25.380571 25.420889 25.465823 25.611781 25.708153 25.814284 25.872880 25.948437 26.063055 26.152787 26.190615 26.225279 26.345100 26.382905 26.498286 26.533210 26.541226 26.642426 26.675815 26.725902 26.761447 26.798993 26.839384 26.880787 26.909649 26.926404 26.988024 26.998217 27.051016 27.124679 27.181165 27.239860 27.272492 27.320335 27.331747 27.422218 27.499627 27.518363 27.559301 27.595690 27.637518 27.670142 27.792842 27.811668 27.848656 28.008079 28.025573 28.091799 28.140937 28.262160 28.416455 28.459245 28.470485 28.553447 28.566857 28.591780 28.625951 28.634874 28.684911 28.780107 28.802560 28.815014 28.873679 28.886175 28.909158 28.980829 28.996638 29.037622 29.062156 29.143660 29.168409 29.194725 29.232117 29.281808 29.336443 29.349559 29.383238 29.394368 29.527585 29.575120 29.657680 29.671523 29.735466 29.746559 29.767353 29.772952 29.810538 29.882190 29.911653 29.973360 30.030397 30.060666 30.092555 30.148614 30.170939 30.205576 30.303071 30.349096 30.385546 30.469107 30.502517 30.556271 30.568647 30.605778 30.651227 30.717793 30.743624 30.862576 30.901710 30.918337 30.935005 31.000069 31.031262 31.075144 31.151282 31.160280 31.257393 31.294197 31.341478 31.377469 31.438148 31.477575 31.525379 31.568265 31.645424 31.718780 31.731467 31.760818 31.788441 31.806881 31.873419 31.908280 31.924721 31.938972 32.041300 32.073679 32.108873 32.134099 32.201681 32.214049 32.254059 32.271946 32.321558 32.393233 32.432576 32.512409 32.575900 32.609222 32.669606 32.706034 32.753156 32.817349 32.863115 32.906805 32.950284 32.968026 33.001131 33.011341 33.070378 33.094299 33.124991 33.163674 33.184297 33.204399 33.233094 33.256808 33.279801 33.297960 33.315532 33.333407 33.343303 33.392091 33.410463 33.442071 33.470592 33.504935 33.518960 33.572504 33.599414 33.625777 33.658793 33.679927 33.752993 33.782933 33.815009 33.880309 33.882054 33.936871 33.953807 33.961492 34.009464 34.037450 34.051556 34.110120 34.158967 34.199865 34.223887 34.254470 34.292919 34.338621 34.347791 34.375180 34.441766 34.449883 34.481923 34.482353 34.540061 34.550882 34.603157 34.630377 34.665758 34.688827 34.730870 34.763134 34.791150 34.846314 34.863062 34.917766 34.944629 34.978837 34.993469 35.011486 35.045177 35.053181 35.070462 35.130054 35.158669 35.181259 35.195256 35.222435 35.256783 35.314892 35.328900 35.399506 35.415648 35.452944 35.481755 35.542871 35.587830 35.647666 35.657240 35.672491 35.707593 35.764167 35.778156 35.835648 35.854903 35.889628 35.919460 35.944063 35.966935 36.037456 36.065150 36.081634 36.190973 36.237533 36.267273 36.298761 36.345090 36.363414 36.417954 36.434588 36.462988 36.483749 36.523842 36.556593 36.576133 36.605276 36.668185 36.759767 36.834145 36.876272 36.899317 36.920929 36.980677 37.006378 37.045024 37.082749 37.107831 37.109310 37.132850 37.148912 37.207334 37.264529 37.276054 37.301421 37.322250 37.388005 37.391426 37.444021 37.486990 37.503121 37.523878 37.549663 37.571470 37.659905 37.740669 37.770796 37.810947 37.841138 37.854074 37.911657 37.930435 37.965557 37.998109 38.066013 38.134702 38.207952 38.219538 38.255694 38.273207 38.345271 38.398852 38.418567 38.444443 38.457384 38.513373 38.535980 38.608413 38.640988 38.691904 38.767413 38.840568 38.910739 39.094412 39.098869 39.155984 39.176801 39.223991 39.327933 39.362742 39.398105 39.448604 39.523961 39.648856 39.791985 39.844314 39.913328 39.950675 40.025231 40.077507 40.176696 40.197931 40.258919 40.336826 40.352034 40.383990 40.396989 40.424426 40.460245 40.557092 40.567485 40.592886 40.616383 40.706610 40.729181 40.780029 40.804439 40.889427 40.937875 40.946615 40.970927 41.080117 41.134682 41.251249 41.319423 41.368976 41.377403 41.401969 41.451499 41.544070 41.610061 41.648134 41.683832 41.737008 41.745793 41.783066 41.829615 41.888015 41.919553 41.972364 42.116012 42.159158 42.304250 42.351293 42.407580 42.439216 42.482852 42.510957 42.571583 42.677478 42.791803 42.825116 42.926854 42.957349 43.001211 43.020081 43.119464 43.169308 43.198823 43.243020 43.334892 43.389406 43.440893 43.509838 43.577419 43.655658 43.749272 43.757819 43.849667 43.892356 43.936982 44.002672 44.031461 44.063576 44.136478 44.240375 44.302772 44.341963 44.411756 44.481468 44.559474 44.655349 44.663784 44.738445 44.844613 44.865031 44.947174 44.989090 45.125289 45.131254 45.194997 45.208336 45.258300 45.353675 45.392533 45.460135 45.481031 45.543822 45.620507 45.733920 45.776734 45.824402 45.952879 46.091716 46.103181 46.165936 46.206099 46.290369 46.417788 46.468443 46.530869 46.604408 46.716044 46.787518 46.824856 46.860150 46.894625 46.991394 47.149090 47.161570 47.269871 47.339842 47.513761 47.602148 47.701267 47.822869 47.983785 48.021107 48.107153 48.225693 48.374050 48.424455 48.451065 48.596248 48.629100 48.922474 48.941714 49.099121 49.113302 49.162458 49.288288 49.353981 49.416883 49.629250 49.817639 49.950377 50.105925 50.273810 50.321123 50.362313 50.367653 50.453440 50.536392 50.572785 50.603102 50.739861 50.946603 50.958545 51.011815 51.057611 51.177996 51.361121 51.393785 51.446810 51.494558 51.625553 51.744056 51.823248 51.850802 51.962439 52.005538 52.091163 52.135612 52.199703 52.234979 52.273075 52.329110 52.499859 52.535342 52.610501 52.657395 52.739712 52.754338 52.819647 52.897171 52.953132 52.983308 53.074864 53.100777 53.137482 53.194796 53.281255 53.396643 53.456089 53.512650 53.613906 53.664482 53.763192 53.820984 53.893833 53.960312 54.048016 54.166238 54.231582 54.297759 54.445957 54.490277 54.546072 54.588626 54.625678 54.687957 54.725811 54.766476 54.881565 54.935837 55.020085 55.233288 55.334620 55.370069 55.406695 55.447100 55.497506 55.676522 55.740672 56.005869 56.060495 56.156319 56.210661 56.245817 56.252276 56.313250 56.344345 56.473754 56.535749 56.607070 56.717502 56.799934 56.849507 56.895016 56.953842 56.990945 57.259875 57.333305 57.446681 57.512880 57.614657 57.690597 57.722266 57.745509 57.806173 57.860032 58.024026 58.105222 58.143479 58.248301 58.390199 58.411433 58.483091 58.588178 58.671073 58.774504 58.858230 58.896304 58.921967 59.046143 59.076509 59.189054 59.199578 59.284412 59.300413 59.425843 59.441817 59.476125 59.571138 59.642276 59.754937 59.803743 59.814554 59.897603 59.984270 60.144525 60.260167 60.290668 60.336812 60.390478 60.500005 60.577665 60.717996 60.831972 60.913459 61.023978 61.050517 61.215787 61.259671 61.306824 61.541462 61.642618 61.713419 61.788085 61.810253 62.047123 62.119496 62.205063 62.346907 62.430772 62.985747 63.450201 63.648575 63.715464 63.855991 63.888685 63.903652 63.991777 64.165927 64.218981 64.426181 64.918200 64.992620 65.142469 65.189771 65.210290 65.454046 65.477057 65.761336 65.877127 65.923739 66.062552 66.496327 66.768353 66.811074 66.893658 67.073516 67.119894 67.171472 67.196643 67.257159 67.324880 67.396625 67.456809 67.608894 67.747735 67.759209 67.851093 67.868662 68.093827 68.193858 68.245636 68.332771 68.397293 68.580134 68.735958 68.780500 68.859456 68.908073 68.981039 69.162648 69.219518 70.169435 70.303722 70.496544 70.632433 71.025114 71.072162 71.100760 71.641111 71.675512 71.779493 71.941046 71.971772 72.175759 72.495221 73.138079 73.333212 74.359100 74.389603 74.444989 74.533198 74.721822 74.927434 75.225312 75.517049 75.692115 75.873302 76.046228 76.491849 77.274476 77.395490 77.629067 77.647494 78.467738 78.549761 78.887158 78.947854 79.329532 79.441954 79.507771 79.589073 79.774727 79.972366 80.376938 80.751492 81.349238 81.589857 82.333973 82.822947 82.880273 83.195231 83.786027 83.940745 84.594556 84.837008 85.018714 85.077851 85.104420 85.211477 85.251455 85.256578 85.398634 85.475043 85.566999 85.792166 86.170233 86.215775 86.308740 86.511443 87.505970 87.528806 87.670562 87.801900 90.361068 90.832986 92.199991 92.290910 92.509622 92.539881 92.759880 92.793582 94.251933 94.513520 103.695219 103.887465 104.047295 104.143636 104.243823 104.370367 104.525180 104.701697 104.901030 104.990870 105.204491 105.400969 105.520555 105.624758 105.817342 106.132323 107.056350 107.257238 107.535431 107.544505 120.408344 120.702710 122.246669 122.454697 122.528773 122.701251 122.748106 122.957974 123.668178 123.807329 124.047159 124.297341 124.487043 124.701463 124.710504 124.829053 124.953476 124.983243 125.261533 125.459366 125.566750 126.080588 126.160964 126.210334 126.390143 126.639579 126.714535 126.916306 127.242230 127.374203 127.552280 127.615940 127.691032 127.925884 128.032409 128.132756 128.159848 128.214390 128.253152 128.308966 128.374793 128.489786 128.794663 128.896452 129.002311 129.284863 129.474923 129.507442 129.857221 130.057687 130.177393 130.240213 130.413474 130.757760 130.811503 130.861785 130.911857 130.987467 131.114450 131.153393 131.235051 131.400237 131.458246 131.675404 131.731916 131.870657 132.021869 132.191188 132.250049 132.296698 132.408751 132.433457 132.501342 132.587477 132.623826 132.778083 132.896790 132.995248 133.077639 133.124587 133.260569 133.282401 133.517549 133.794876 133.835776 134.046160 134.144665 134.263460 134.583469 134.667888 134.894158 135.182267 135.344948 135.362431 135.375007 135.506456 135.626956 135.964026 136.063671 136.112418 136.184185 136.282178 136.372579 136.669887 137.212573 137.296639 137.411786 137.540858 137.724391 137.850553 137.923130 138.175764 138.203170 138.254920 138.467097 139.004456 139.084495 139.145598 139.360440 140.094236 140.179278 140.389390 140.584125 140.614551 140.731068 140.803576 141.205154 141.248112 141.376992 141.523877 141.560831 141.700230 141.935948 142.032854 142.114868 142.237639 142.634534 142.837661 143.010029 143.173481 143.314592 143.467999 143.653933 144.004005 144.045101 144.401196 144.578410 144.681353 144.748988 145.059667 145.319612 145.450422 145.542101 145.835480 146.362831 146.557267 146.793010 146.954460 147.233115 147.416982 147.709455 147.797994 147.838498 148.060598 148.335905 148.409859 148.517956 148.575662 148.735175 148.782239 148.913552 148.945752 149.097871 149.255646 149.390043 149.728170 149.955188 150.011539 150.384665 150.994181 151.233536 151.785833 151.993264 152.123644 152.246804 152.353036 152.462325 152.572730 152.958100 153.104152 153.532705 153.662536 153.869809 153.993888 154.107337 154.174368 154.338000 154.501677 154.695705 154.870013 155.157212 155.180481 155.244942 155.394710 155.446940 155.793869 156.152598 156.308446 156.460127 156.540632 156.562387 156.839788 156.900391 156.951316 157.151609 157.184575 157.422055 157.772884 158.391614 158.651934 158.706469 158.924744 159.054113 159.303313 159.319749 159.429430 159.819075 159.889959 160.859290 161.498831 162.108611 162.326246 162.817907 163.090755 163.182270 163.991453 164.531217 165.398992 165.827692 165.893649 166.123173 166.397671 166.769942 167.011305 167.062412 167.457415 167.601361 167.653486 167.750265 168.169339 168.861609 169.235892 169.496309 169.875023 169.942581 170.271089 170.336684 170.430278 171.085030 171.294575 171.544997 172.106683 172.296791 172.501250 172.569991 172.762123 172.880245 173.120007 173.409393 174.146902 174.199948 174.472596 174.677870 175.295549 175.510441 175.690921 176.349036 176.485114 177.092527 177.482351 177.695083 177.826897 178.300554 179.242320 180.104228 180.382241 181.138896 182.494540 182.730534 183.109513 183.342192 184.762294 184.956761 185.983108 186.102716 188.945593 189.880454 922.305415 922.933470 923.427738 923.530684 924.031704 925.652994 926.170726 926.815872 927.593899 928.613507 928.823007 929.876816 930.507534 931.744298 932.036116 932.799614 933.182196 933.337381 933.866379 934.025328 934.612427 934.723284 935.527318 936.056043 936.387478 936.723137 937.484711 937.531743 937.675099 938.010653 938.121793 938.388604 938.564444 938.965333 939.838261 940.065751 940.445923 941.202069 942.190020 942.529929 942.846581 943.503580 943.697821 945.682502 946.205239 946.599803 946.857822 947.251774 947.901524 948.841968 949.769039 950.142053 950.689842 950.691972 950.954820 951.610425 952.833977 953.647236 953.753193 954.914194 956.107488 956.375892 957.223532 966.839819 967.842107 968.646342 970.595933 971.366166 971.789839 973.346967 974.762204 976.870453 977.137004 979.883112 980.517849 982.322063 982.363014 982.684422 983.085998 48083.751896 48093.272397 82909.824173 82911.658394 82924.266668 82926.983983 82932.269018 82933.696620 82935.738624 82936.601379 82941.480511 82941.755096 82941.882792 82942.317544 82946.340964 82947.086420 82947.727112 82948.498018 82949.503597 82950.863568 82954.756386 82957.830746 -79.852653 -79.851377 -79.734284 -79.714679 -79.705782 -79.696610 -79.693748 -79.680580 -79.669677 -79.665811 -79.581379 -79.580874 -79.535299 -79.512799 -79.500736 -79.482738 -79.443235 -79.437474 -79.429091 -79.423045 -44.654370 -44.653307 -44.543872 -44.518371 -44.513323 -44.510548 -44.505574 -44.494519 -44.485154 -44.472972 -44.469289 -44.463735 -44.460109 -44.435972 -44.427547 -44.427076 -44.397669 -44.368041 -44.366247 -44.354736 -44.352401 -44.350710 -44.341624 -44.337102 -44.332137 -44.324189 -44.320010 -44.318615 -44.312560 -44.303637 -44.297825 -44.292195 -44.280679 -44.275607 -44.275543 -44.268205 -44.267495 -44.266621 -44.264638 -44.245660 -44.223493 -44.217840 -44.200579 -44.180654 -44.174449 -44.156496 -44.146997 -44.139424 -44.127069 -44.115826 -44.108731 -44.091996 -44.084645 -44.081045 -44.061443 -44.049813 -44.045870 -44.042190 -44.029995 -44.021793 -26.550101 -26.426854 -25.297670 -25.288052 -24.272090 -24.201509 -24.118906 -24.091379 -24.090062 -23.996343 -23.469121 -23.284942 -23.251895 -23.227029 -23.197015 -23.116978 -23.102690 -23.033875 -22.960277 -22.907102 -22.894896 -22.872453 -22.858974 -22.854592 -22.766304 -22.738242 -22.721994 -22.685794 -22.659330 -22.574369 -22.524733 -22.518004 -22.485876 -22.468909 -22.455701 -22.402989 -22.392903 -22.386468 -22.370532 -22.351153 -22.347718 -22.332306 -22.289956 -22.272820 -22.268867 -22.262147 -22.257013 -22.248866 -22.235454 -22.231334 -22.228205 -22.221321 -22.205157 -22.183679 -22.171074 -22.166454 -22.148533 -22.136532 -22.121552 -22.113110 -22.106802 -22.095353 -22.094494 -22.093762 -22.083235 -22.071641 -22.058035 -22.044781 -22.032726 -22.027358 -22.016072 -21.926591 -21.877184 -21.865136 -21.846798 -21.818979 -21.755660 -21.713673 -21.684490 -21.666742 -21.608433 -14.314258 -14.211189 -12.378311 -12.336722 -12.314042 -12.308715 -12.280246 -12.272681 -12.136765 -12.037037 -12.022277 -11.953386 -11.903097 -11.871134 -11.835455 -11.787606 -11.582416 -11.538194 -11.298118 -11.272373 -11.209030 -11.179120 -11.167571 -11.088923 -11.031144 -10.997779 -10.957941 -10.892297 -10.849573 -10.824960 -10.775201 -10.755746 -10.742576 -10.708505 -10.632796 -10.594238 -10.532712 -10.456575 -10.389511 -10.382326 -10.361378 -10.347977 -10.290658 -10.273686 -10.267948 -10.238414 -10.214594 -10.165886 -10.160356 -10.120700 -10.117714 -10.094797 -10.062511 -10.040307 -9.955739 -9.905232 -9.886190 -9.866714 -9.817059 -9.727460 -9.658523 -9.589832 -9.586791 -9.568669 -9.523621 -9.519416 -9.498563 -9.470296 -9.447840 -9.442120 -9.422124 -9.409061 -9.390828 -9.386701 -9.331075 -9.311647 -9.307845 -9.300668 -9.293243 -9.259824 -9.255248 -9.201157 -9.190526 -9.171964 -9.167618 -9.154900 -9.124968 -9.096477 -9.044089 -9.021146 -9.011635 -9.008414 -8.976073 -8.950560 -8.947114 -8.936687 -8.905663 -8.894643 -8.882550 -8.872104 -8.869065 -8.857427 -8.846524 -8.828950 -8.812316 -8.794921 -8.789073 -8.776914 -8.776008 -8.752513 -8.740134 -8.732579 -8.723449 -8.701898 -8.689653 -8.669622 -8.656520 -8.615033 -8.608305 -8.605476 -8.597782 -8.591962 -8.568942 -8.545241 -8.530421 -8.468866 -8.467442 -8.426560 -8.416686 -8.396037 -8.332511 -8.331773 -8.274182 -8.245022 -8.240931 -8.228051 -8.208890 -8.202900 -8.198972 -8.187066 -8.173854 -8.141843 -8.121278 -8.105488 -8.089488 -8.033951 -7.952578 -7.939677 -7.923510 -7.902871 -7.872875 -7.855727 -7.842883 -7.821605 -7.813972 -7.804478 -7.749790 -7.745963 -7.711627 -7.680051 -7.673208 -7.631545 -7.589508 -7.544791 -7.515681 -7.439103 -7.394456 -7.361363 -7.356717 -7.336097 -7.317696 -7.254246 -7.225730 -7.205004 -7.186344 -7.178811 -7.172477 -7.118029 -7.110132 -7.106770 -7.072697 -7.070367 -7.039773 -7.027588 -7.003892 -7.000055 -6.987622 -6.914116 -6.886202 -6.873925 -6.861596 -6.850616 -6.827894 -6.824194 -6.760747 -6.748638 -6.740108 -6.734197 -6.711597 -6.698190 -6.691841 -6.654777 -6.621084 -6.594349 -6.593032 -6.572773 -6.569211 -6.563529 -6.560067 -6.545845 -6.541793 -6.514268 -6.501308 -6.493272 -6.478800 -6.468384 -6.440256 -6.436177 -6.423933 -6.416830 -6.408320 -6.402428 -6.383265 -6.330106 -6.321081 -6.315077 -6.287495 -6.282008 -6.215738 -6.196442 -6.183208 -6.105629 -6.081295 -6.073820 -6.060883 -6.050208 -5.968910 -5.913598 -5.856066 -5.832464 -5.800912 -5.795212 -5.589210 -4.670045 -4.395116 -4.217571 -3.835599 -3.692492 -3.652603 -3.402728 -3.351574 -3.137621 -3.112776 -3.032851 -2.845956 -2.805930 -2.720849 -2.648234 -2.642920 -2.575816 -2.515229 -2.483562 -2.425448 -2.410971 -2.402752 -2.251341 -2.245676 -2.227799 -2.224262 -2.210735 -2.139405 -2.128137 -2.117779 -2.089702 -2.058550 -2.040913 -1.992825 -1.939617 -1.919853 -1.884035 -1.848737 -1.822877 -1.795757 -1.789634 -1.743811 -1.669237 -1.644036 -1.629679 -1.574598 -1.559822 -1.556206 -1.534867 -1.510803 -1.492206 -1.470887 -1.345345 -1.334233 -1.302301 -1.294023 -1.227795 -1.202944 -1.188227 -1.177410 -1.174491 -1.106591 -1.072746 -1.058410 -1.013489 -1.009577 -0.995520 -0.961334 -0.939054 -0.896827 -0.865749 -0.845905 -0.831341 -0.753589 -0.716148 -0.632309 -0.587452 -0.585612 -0.446405 -0.424937 -0.375835 -0.164881 -0.093848 -0.024505 0.008656 0.092808 0.117890 0.222247 0.235594 0.340450 0.418173 0.486325 0.524136 0.530019 0.618401 0.624173 0.665964 0.692715 0.795372 0.821070 0.832191 0.852615 0.880460 0.911522 0.920384 0.963583 0.975927 0.977608 1.023076 1.091972 1.106997 1.139654 1.164409 1.184345 1.204781 1.254572 1.271735 1.299955 1.336528 1.360556 1.439632 1.483155 1.545153 1.555832 1.575169 1.615492 1.623988 1.667570 1.692722 1.727343 1.735484 1.770018 1.836526 1.941232 1.978485 1.994363 2.028502 2.077312 2.109994 2.139178 2.256248 2.415588 2.457262 2.544500 2.566115 2.662370 2.675313 2.811963 2.851215 2.879433 2.913900 2.938798 2.971577 3.023968 3.044323 3.087496 3.147551 3.227611 3.295859 3.402348 3.408082 3.460430 3.478491 3.540226 3.570083 3.592653 3.681607 3.721350 3.727792 3.757930 3.776182 3.826156 3.859543 3.874222 3.979533 4.079615 4.114244 4.158802 4.211867 4.246265 4.321507 4.344866 4.428256 4.443998 4.487686 4.499071 4.564463 4.612396 4.631677 4.697784 4.739041 4.779539 4.862508 4.883375 4.905331 4.914399 4.948682 4.996840 5.057765 5.085638 5.124342 5.182771 5.206759 5.226638 5.307060 5.329425 5.344069 5.353475 5.451067 5.462816 5.498741 5.563474 5.631111 5.671664 5.793317 5.807264 5.865596 5.901763 5.949603 5.962012 5.976373 6.031488 6.065805 6.104470 6.135814 6.146259 6.194304 6.210120 6.333808 6.427525 6.462652 6.502361 6.556531 6.607731 6.610987 6.718007 6.770702 6.783870 6.794611 6.846507 6.874139 6.904632 7.011138 7.037571 7.068385 7.132133 7.135765 7.167205 7.257859 7.275942 7.304467 7.319919 7.351582 7.373691 7.405155 7.448340 7.473663 7.491498 7.498036 7.591003 7.614440 7.626445 7.676570 7.691332 7.712639 7.760791 7.801534 7.820554 7.867275 7.887026 7.906659 8.017970 8.065413 8.087884 8.103473 8.139125 8.257912 8.278276 8.382371 8.390055 8.416237 8.454236 8.497808 8.509506 8.563780 8.585253 8.635163 8.685863 8.718464 8.730195 8.844880 8.878543 8.910786 8.971365 9.005035 9.026109 9.080381 9.130708 9.154226 9.199101 9.235071 9.244873 9.279261 9.322039 9.331054 9.381270 9.413527 9.416067 9.522898 9.555035 9.561086 9.617721 9.639354 9.670268 9.682683 9.729212 9.746136 9.835255 9.871832 9.908196 10.012650 10.037327 10.052648 10.088234 10.091739 10.160012 10.205512 10.244544 10.294973 10.332057 10.337162 10.368780 10.406564 10.457638 10.511811 10.541353 10.556850 10.579605 10.627112 10.649947 10.707643 10.758925 10.824489 10.839621 10.842714 10.887593 10.945106 10.974658 11.032169 11.047180 11.101239 11.135109 11.157309 11.197932 11.273975 11.322546 11.369748 11.427103 11.449675 11.459173 11.567089 11.621801 11.644789 11.720651 11.744323 11.794240 11.819466 11.868968 11.894925 11.927504 11.985612 12.014622 12.055198 12.099700 12.173737 12.206621 12.242422 12.279030 12.310174 12.356122 12.408692 12.436111 12.463162 12.496411 12.550316 12.693663 12.730845 12.767654 12.833886 12.911947 12.958593 13.056257 13.104819 13.129198 13.231934 13.287314 13.335295 13.389143 13.467029 13.507184 13.549674 13.702166 13.734020 13.828940 13.901849 13.909006 14.013063 14.055974 14.071916 14.088180 14.167340 14.308981 14.513393 14.524725 14.604536 14.623405 14.697348 14.781515 14.787534 14.892786 14.951229 14.986667 15.022474 15.093522 15.185240 15.322699 15.421756 15.501419 15.598041 15.621654 15.658426 15.684859 15.899388 15.959011 15.968052 16.083963 16.176975 16.211815 16.307496 16.407972 16.431208 16.549692 16.596139 16.640054 16.703322 16.858967 16.900665 17.065233 17.079814 17.248774 17.287747 17.364639 17.429756 17.524472 17.554096 17.568234 17.601605 17.619228 17.661219 17.708254 17.748967 17.767031 17.863038 17.901227 17.935681 17.970997 18.041504 18.095204 18.143067 18.154905 18.293262 18.299784 18.358142 18.382968 18.440039 18.452794 18.497289 18.500568 18.583875 18.710228 18.751078 18.757560 18.788235 18.808896 18.854117 18.907197 18.955756 18.985306 19.019484 19.176133 19.256960 19.380497 19.411608 19.470326 19.493507 19.504430 19.587194 19.610997 19.698588 19.763931 19.823263 19.845335 19.911499 19.975395 20.038071 20.061351 20.116597 20.173762 20.198345 20.222956 20.326760 20.344512 20.378984 20.450032 20.507004 20.555421 20.583733 20.658205 20.675700 20.729300 20.772873 20.833651 20.864317 20.899231 20.914511 20.968412 21.018798 21.085794 21.104076 21.158359 21.273760 21.295279 21.357745 21.479611 21.505114 21.573160 21.582433 21.638851 21.666154 21.750432 21.789751 21.843878 21.933921 22.031825 22.108558 22.130845 22.160017 22.213993 22.306726 22.332717 22.396330 22.505440 22.552414 22.592764 22.645808 22.681678 22.730626 22.820299 22.844995 22.950216 23.011467 23.091440 23.136401 23.154914 23.179365 23.254778 23.259255 23.289449 23.309654 23.409786 23.518042 23.535551 23.588689 23.656224 23.746075 23.779203 23.865959 23.991998 24.043561 24.050098 24.140743 24.197610 24.207886 24.266789 24.291889 24.370561 24.426431 24.478745 24.551889 24.642805 24.700219 24.830463 24.893265 24.955138 24.996567 25.076340 25.162632 25.168464 25.251519 25.308174 25.336870 25.375861 25.408887 25.465578 25.626470 25.735090 25.823181 25.886810 25.937441 26.053420 26.166775 26.209205 26.235271 26.372211 26.410783 26.526959 26.545031 26.576549 26.647343 26.710047 26.711808 26.775510 26.798009 26.844972 26.899925 26.925152 26.948945 26.961386 26.999957 27.061540 27.120619 27.222879 27.236635 27.289079 27.342538 27.355413 27.430182 27.493106 27.517493 27.572321 27.605052 27.637989 27.710073 27.786442 27.789570 27.876835 28.021693 28.025531 28.092044 28.161014 28.268643 28.438807 28.464105 28.490594 28.564175 28.574841 28.592522 28.640753 28.658260 28.696688 28.776539 28.802199 28.822066 28.887558 28.899704 28.920271 28.997046 29.018103 29.023012 29.062719 29.154530 29.168006 29.199533 29.258295 29.299279 29.329509 29.360880 29.398133 29.416944 29.511675 29.597138 29.668291 29.684091 29.748731 29.758225 29.777392 29.799339 29.836885 29.880110 29.925519 29.967532 30.040436 30.058246 30.092374 30.157855 30.168759 30.216261 30.333878 30.368236 30.408725 30.478861 30.503485 30.571081 30.586013 30.636802 30.663704 30.732488 30.767300 30.850268 30.895655 30.922995 30.953624 30.999305 31.030282 31.093645 31.143439 31.172438 31.262676 31.315192 31.350447 31.402431 31.446856 31.488325 31.529785 31.560177 31.672627 31.719328 31.738980 31.765470 31.800783 31.827181 31.873895 31.905153 31.921593 31.966639 32.054421 32.076153 32.121240 32.176375 32.206252 32.214408 32.245124 32.275818 32.337563 32.414292 32.428808 32.528536 32.577934 32.640064 32.674045 32.723264 32.764647 32.833726 32.873448 32.929048 32.946232 32.954773 33.021787 33.035847 33.086484 33.111287 33.143655 33.162599 33.182748 33.213179 33.232448 33.254469 33.286761 33.311909 33.321529 33.340621 33.364242 33.407431 33.415257 33.449007 33.483179 33.507328 33.535197 33.551073 33.606318 33.624500 33.659625 33.690143 33.765941 33.806561 33.834976 33.887536 33.906772 33.959395 33.973773 33.983912 34.010119 34.025897 34.080082 34.125142 34.163302 34.181054 34.233146 34.260366 34.321545 34.345059 34.358686 34.379022 34.424430 34.467316 34.484290 34.507090 34.541139 34.576545 34.626167 34.642672 34.685333 34.715458 34.751882 34.764840 34.824613 34.852995 34.880568 34.920927 34.931164 34.989499 35.025666 35.032835 35.059067 35.071607 35.088002 35.112556 35.129385 35.180312 35.191784 35.220234 35.289038 35.318971 35.341123 35.391653 35.427248 35.500723 35.514538 35.544736 35.590975 35.620108 35.658653 35.697771 35.741727 35.749279 35.813832 35.828210 35.849282 35.892933 35.898898 35.964164 35.971376 36.045411 36.066775 36.080316 36.183964 36.245845 36.305345 36.314237 36.374397 36.389462 36.435114 36.451638 36.468076 36.479772 36.522750 36.553268 36.557205 36.603199 36.715620 36.796328 36.843670 36.889867 36.907729 36.919967 36.973763 37.032533 37.064247 37.099078 37.115325 37.136048 37.154038 37.171037 37.221346 37.238369 37.262973 37.293392 37.334327 37.394553 37.420661 37.469851 37.480399 37.495519 37.518036 37.568985 37.606710 37.665055 37.763478 37.773290 37.846764 37.855305 37.866438 37.897666 37.964843 37.974059 38.023564 38.071098 38.170811 38.206563 38.259923 38.279689 38.287552 38.328688 38.376446 38.434654 38.450662 38.498535 38.534621 38.597065 38.640746 38.675587 38.722425 38.773835 38.809641 38.840525 39.080730 39.137775 39.157138 39.224750 39.265180 39.361393 39.368093 39.402062 39.442093 39.516832 39.620483 39.817925 39.879937 39.915499 39.939460 40.035197 40.086163 40.158935 40.195636 40.269825 40.356134 40.361302 40.382261 40.421576 40.442160 40.470244 40.559236 40.573801 40.603481 40.629346 40.720165 40.737138 40.773385 40.800987 40.895500 40.938224 40.955210 40.982610 41.120718 41.156995 41.245371 41.347571 41.361795 41.398969 41.401494 41.502653 41.548255 41.608508 41.700572 41.720953 41.742149 41.774747 41.815703 41.845015 41.903828 41.924783 41.965041 42.121440 42.179603 42.297378 42.314021 42.390899 42.443546 42.512188 42.595348 42.604055 42.665908 42.776497 42.809188 42.911609 42.967148 43.001292 43.049056 43.085780 43.124345 43.194262 43.282678 43.370615 43.383815 43.516885 43.533175 43.602141 43.648809 43.778425 43.805602 43.860333 43.943358 43.962178 44.019414 44.034218 44.068991 44.205688 44.238932 44.299602 44.349024 44.444203 44.514970 44.565559 44.646939 44.717835 44.761531 44.831956 44.894384 44.973956 45.015906 45.176480 45.187726 45.204318 45.255584 45.273735 45.329797 45.413257 45.422450 45.490029 45.535314 45.649841 45.761992 45.815490 45.834336 45.988068 46.092448 46.169308 46.204981 46.261766 46.321933 46.458649 46.478550 46.552742 46.662257 46.724958 46.840741 46.858570 46.875872 46.958622 47.001499 47.134110 47.196945 47.341877 47.393969 47.589978 47.612305 47.686679 47.830360 48.022064 48.085787 48.156376 48.316457 48.361072 48.446456 48.459162 48.610419 48.633247 48.960078 48.963252 49.100983 49.136993 49.198941 49.325390 49.413704 49.489488 49.558810 49.889027 49.943118 50.187957 50.283930 50.300860 50.359418 50.444347 50.489227 50.561091 50.602511 50.689686 50.789128 50.990770 51.019497 51.066555 51.109950 51.229860 51.342422 51.451035 51.469671 51.548239 51.635616 51.764711 51.832620 51.938287 51.977171 52.051940 52.068036 52.161054 52.204201 52.228870 52.276008 52.388104 52.510549 52.534034 52.648978 52.700999 52.749280 52.781398 52.831688 52.889577 53.012716 53.046414 53.070313 53.112439 53.218554 53.233730 53.247886 53.412606 53.422038 53.522587 53.635877 53.685003 53.761221 53.865910 53.944503 53.962481 54.087409 54.271792 54.297144 54.329785 54.454571 54.497663 54.571892 54.625456 54.668247 54.687099 54.773289 54.797936 54.913451 54.927347 55.009169 55.256238 55.354771 55.367468 55.441513 55.462025 55.505758 55.667634 55.823118 55.997583 56.086582 56.112664 56.231014 56.238280 56.269298 56.320287 56.427493 56.523661 56.550777 56.637200 56.731588 56.842715 56.888506 56.934158 56.959524 57.043648 57.296229 57.349425 57.376177 57.551677 57.664565 57.703422 57.737591 57.760315 57.831092 57.854680 58.022467 58.132105 58.218428 58.282957 58.375916 58.395659 58.595008 58.643247 58.662386 58.832244 58.875031 58.913415 58.967833 59.062545 59.131848 59.208453 59.218412 59.287649 59.356859 59.416228 59.447469 59.509774 59.583925 59.653393 59.718226 59.827575 59.855860 59.933280 60.009042 60.160182 60.269496 60.316754 60.335305 60.412990 60.500746 60.543394 60.740471 60.874915 60.902226 61.032005 61.087379 61.188549 61.247587 61.329052 61.548613 61.694463 61.750276 61.774962 61.861471 62.038804 62.095982 62.230890 62.342479 62.500350 62.967874 63.512280 63.685372 63.798143 63.834790 63.875191 63.926010 64.000163 64.176621 64.263117 64.437275 64.950878 64.996025 65.171030 65.213947 65.294346 65.445341 65.483028 65.780484 65.895411 66.025472 66.107151 66.471036 66.784548 66.837698 66.942762 67.131468 67.144489 67.183333 67.198879 67.278152 67.334613 67.435241 67.447836 67.601969 67.730391 67.772818 67.793493 67.862765 68.161193 68.202852 68.295836 68.357442 68.402502 68.673865 68.750968 68.843287 68.898547 68.941591 69.023463 69.153946 69.222283 70.228878 70.284643 70.626818 70.912572 71.051806 71.081822 71.092814 71.509403 71.659573 71.883682 71.988668 72.054951 72.174816 72.380139 72.984310 73.564699 74.382991 74.436593 74.529172 74.596358 74.715393 74.915784 75.508149 75.577452 75.750309 75.802286 76.257000 76.723546 77.099750 77.272126 77.633806 77.677479 78.488690 78.575178 78.913359 78.976161 79.369302 79.518423 79.549455 79.699455 79.795950 79.836525 80.455622 80.733130 81.455600 81.584024 82.461278 82.769129 83.039052 83.135925 83.770120 84.010340 84.683083 84.824839 85.015930 85.129173 85.162817 85.211771 85.251424 85.425229 85.466804 85.505842 85.626876 85.655724 86.238189 86.256261 86.295979 86.518694 87.558911 87.574774 87.683664 87.817603 90.410733 90.839209 92.262709 92.287488 92.544604 92.585843 92.727584 92.838065 94.307232 94.534474 103.783823 103.947534 104.130885 104.227863 104.321059 104.452088 104.605688 104.790265 104.977761 105.061212 105.295323 105.465715 105.616503 105.716458 105.886673 106.205727 107.145088 107.353730 107.610498 107.626064 120.487603 120.716866 122.306509 122.495021 122.577993 122.736650 122.812244 122.985329 123.729628 123.833812 124.122455 124.347194 124.548310 124.715374 124.789903 124.879860 124.978735 125.047307 125.304591 125.517170 125.605932 126.122232 126.214750 126.278622 126.426052 126.693194 126.775813 126.947209 127.324398 127.431154 127.611351 127.655197 127.708855 127.998435 128.079340 128.203644 128.214306 128.282716 128.293224 128.343635 128.411056 128.521655 128.849930 128.943216 129.076370 129.309123 129.542964 129.568331 129.894538 130.104228 130.206282 130.312306 130.460561 130.808705 130.865413 130.923513 130.969317 131.042459 131.164461 131.195809 131.305268 131.445621 131.510825 131.737115 131.772359 131.908344 132.075422 132.240925 132.322634 132.357626 132.458476 132.482191 132.562947 132.635906 132.679879 132.829386 132.958610 133.063476 133.148808 133.174026 133.296043 133.319647 133.579633 133.860979 133.875484 134.105693 134.186534 134.308787 134.641897 134.744247 134.955862 135.261892 135.390561 135.429528 135.451755 135.541007 135.682330 136.025406 136.128090 136.162421 136.240022 136.351953 136.430964 136.715573 137.292893 137.347721 137.506131 137.604944 137.756853 137.935425 138.006678 138.218780 138.247790 138.312816 138.526063 139.070636 139.141082 139.214687 139.405595 140.158401 140.238927 140.464181 140.655624 140.686123 140.779033 140.875677 141.275903 141.311753 141.451816 141.575412 141.608124 141.757595 142.005301 142.103432 142.197833 142.277150 142.695418 142.902654 143.089095 143.249307 143.375886 143.561408 143.730330 144.047767 144.105787 144.500971 144.647598 144.760482 144.786040 145.139769 145.373210 145.513359 145.601584 145.881911 146.484921 146.675621 146.892201 147.012795 147.333520 147.521852 147.816269 147.889036 147.942811 148.154128 148.413310 148.519414 148.631807 148.683378 148.849843 148.890514 148.998427 149.060043 149.204136 149.369410 149.475778 149.837987 150.066295 150.087981 150.464219 151.042951 151.324519 151.862649 152.100366 152.208320 152.385762 152.483349 152.586637 152.678448 153.032762 153.227655 153.614179 153.791474 154.011566 154.092250 154.203501 154.266821 154.469569 154.611650 154.795444 154.998104 155.288144 155.300491 155.349435 155.517902 155.570277 155.922809 156.236334 156.413552 156.565632 156.638979 156.681094 156.958831 156.997780 157.085349 157.267743 157.276785 157.517362 157.869844 158.536862 158.750461 158.821105 159.049532 159.151968 159.421459 159.427748 159.564436 159.879123 159.988132 160.987132 161.579447 162.229105 162.447536 162.969419 163.170696 163.270413 164.119338 164.604740 165.497913 165.915215 165.978109 166.216894 166.487730 166.836607 167.097230 167.141275 167.557807 167.705151 167.732434 167.868223 168.227866 168.942432 169.319788 169.592247 169.963723 170.016181 170.362083 170.430203 170.518095 171.162587 171.386348 171.626923 172.196884 172.399375 172.602782 172.658411 172.841166 172.973083 173.192517 173.482856 174.235237 174.280150 174.545535 174.783475 175.398219 175.591252 175.785983 176.432668 176.577133 177.185472 177.576000 177.788109 177.912157 178.393263 179.320522 180.191256 180.480817 181.226865 182.595292 182.827849 183.211473 183.438069 184.863449 185.050455 186.084049 186.196125 189.050828 189.980437 924.542511 925.196125 925.631726 925.770371 926.299943 927.900499 928.444639 929.081420 929.853498 930.876572 931.109063 932.160401 932.774103 934.021274 934.332465 935.096990 935.488728 935.620355 936.168213 936.315753 936.905564 937.019784 937.831698 938.340642 938.702882 939.054667 939.789231 939.865911 939.975414 940.325453 940.438743 940.706766 940.899343 941.242586 942.146569 942.371554 942.773523 943.523065 944.547420 944.842870 945.163163 945.830274 946.029636 948.045605 948.557902 948.922280 949.192292 949.563383 950.278456 951.234021 952.103903 952.524598 953.034619 953.038922 953.328821 953.996017 955.223142 955.999715 956.113045 957.291835 958.486157 958.759145 959.619222 969.276701 970.269925 971.049771 973.062636 973.806696 974.235671 975.793686 977.229326 979.324027 979.616809 982.373686 982.992158 984.810951 984.848372 985.170568 985.571451 55224.110793 55235.778579 105114.860277 105117.439417 105135.244655 105139.073283 105146.551657 105148.541221 105151.453719 105152.654088 105159.548006 105159.921310 105160.119104 105160.726529 105166.416374 105167.470967 105168.359002 105169.442075 105170.868265 105172.813881 105178.303913 105182.624824</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="4406">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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="4406">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-33.87085903</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-921.673460</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-10</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000119101</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00116075236151</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00035357894731</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="109">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H 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 W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs 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 H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="109">2.4246 2.3946 2.4737 2.3942 2.4054 -0.7954 -0.9617 2.0347 0.2794 1.6766 -0.8082 2.4502 -0.9513 -0.9626 -0.9730 -0.9605 -0.9618 -0.9785 -0.8149 -0.9519 -0.9607 -0.9526 -1.0065 -0.9497 -0.9571 -0.9719 -0.9480 -1.0355 -0.9597 -0.7920 -0.9657 -0.7885 -0.9592 -1.0208 -0.7802 2.3926 -0.7947 2.3665 2.3784 -1.0210 2.4426 2.3807 -1.0020 2.3922 -0.9525 2.3672 -0.9605 -0.9520 2.3768 2.4411 0.8833 2.3862 -0.8122 -0.8079 1.9707 -0.9522 -0.9507 2.4650 -0.9548 -0.9661 -0.9803 -0.9723 -0.9653 -0.9577 -1.0009 -0.8054 -0.8288 -0.9624 -0.9548 -0.9677 -0.9494 2.4250 2.3930 2.4723 2.3995 2.4062 -0.9818 -1.0195 -0.8268 -0.9943 -0.9588 -0.9717 0.8845 -1.0215 -0.7931 1.9717 -0.8027 -0.7891 -1.0208 -0.9649 -0.9529 -0.9660 -0.7901 -0.7804 -0.8282 -0.8048 -0.7932 -0.9560 -0.9793 -0.9537 -0.9650 -0.8034 -1.0055 -0.9497 -0.9537 -0.9635 -0.8245 -0.9553 0.2810</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">0.0210 0.0272 0.0441 0.0275 0.0383 0.0121 0.0011 2.3521 -0.0088 2.9443 -0.0133 0.0081 0.0040 0.0334 0.0087 0.0340 0.0011 0.0293 0.0157 0.0023 0.0031 0.0012 0.0303 0.0800 0.0326 0.0065 -0.1357 -0.0079 0.0336 0.0203 0.0682 0.0125 0.0335 0.0003 -0.0013 0.0549 0.0122 0.0051 -0.0202 0.0003 0.0013 -0.0149 -0.0224 0.0557 0.0012 0.0051 0.0031 0.0021 -0.0203 0.0014 -0.0027 -0.0143 0.0157 -0.0133 -2.2678 0.0037 -0.0278 -0.0018 0.0076 -0.0302 0.0061 -0.0051 -0.0022 -0.0315 -0.0217 -0.0215 -0.0183 -0.0077 -0.0026 -0.0698 -0.0275 0.0211 0.0251 0.0433 0.0277 0.0380 -0.0071 0.0073 -0.0762 0.0092 -0.0736 0.0087 -0.0029 -0.0005 -0.0035 -1.3804 -0.0108 0.0235 -0.0005 -0.0877 -0.0632 0.0855 0.0103 -0.0013 -0.0182 -0.0102 -0.0036 0.0076 0.0061 -0.0070 -0.0027 -0.0250 0.0299 0.0645 -0.0070 -0.0077 0.0826 -0.0020 0.0094</array>
                        <array dataType="xsd:string" dictRef="a:spin" size="218">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 A B A B</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="218">1.0554 1.0546 1.0595 1.0589 1.0542 1.0522 1.0589 1.0584 1.0557 1.0552 0.9838 0.9837 0.9722 0.9723 0.1652 0.1245 0.3006 0.3083 0.1954 0.1230 0.9829 0.9831 0.2587 0.2561 0.9668 0.9668 0.9722 0.9717 0.9711 0.9710 0.9712 0.9707 0.9722 0.9723 0.9679 0.9675 0.9855 0.9853 0.9666 0.9667 0.9713 0.9713 0.9670 0.9671 0.9713 0.9723 0.9721 0.9727 0.9666 0.9662 0.9462 0.9442 0.9885 0.9790 0.9447 0.9456 0.9742 0.9748 0.9835 0.9832 0.9686 0.9699 0.9839 0.9837 0.9741 0.9748 0.9471 0.9471 0.9844 0.9845 1.0579 1.0557 0.9838 0.9837 1.0579 1.0574 1.0609 1.0607 0.9471 0.9471 1.0545 1.0547 1.0593 1.0595 0.9717 0.9707 1.0578 1.0556 0.9670 0.9671 1.0580 1.0575 0.9713 0.9713 0.9666 0.9667 1.0604 1.0605 1.0546 1.0547 1.0278 1.0289 1.0589 1.0589 0.9854 0.9853 0.9829 0.9831 0.1268 0.1654 0.9667 0.9667 0.9748 0.9738 0.2577 0.2573 0.9662 0.9660 0.9699 0.9704 0.9703 0.9701 0.9701 0.9703 0.9703 0.9705 0.9656 0.9662 0.9717 0.9707 0.9823 0.9825 0.9842 0.9843 0.9717 0.9720 0.9659 0.9662 0.9691 0.9680 0.9749 0.9738 1.0552 1.0544 1.0591 1.0585 1.0543 1.0523 1.0591 1.0590 1.0558 1.0554 0.9674 0.9677 0.9453 0.9449 0.9410 0.9429 0.9467 0.9459 0.9712 0.9705 0.9710 0.9710 1.0279 1.0290 0.9471 0.9471 0.9835 0.9836 0.1310 0.1504 0.9825 0.9826 0.9838 0.9835 0.9471 0.9471 0.9689 0.9681 0.9720 0.9710 0.9683 0.9694 0.9836 0.9835 0.9845 0.9845 0.9841 0.9843 0.9823 0.9825 0.9835 0.9836 0.9661 0.9659 0.9704 0.9701 0.9663 0.9667 0.9703 0.9705 0.9825 0.9828 0.9713 0.9722 0.9719 0.9729 0.9662 0.9666 0.9716 0.9720 0.9429 0.9402 0.9659 0.9661 0.3079 0.3001</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="218">3.0615 3.0604 3.0652 3.0629 3.0659 3.0627 3.0662 3.0639 3.0651 3.0636 2.4031 2.3911 2.4936 2.4927 -0.1283 -0.1314 0.0553 0.0564 -0.0520 -0.0783 2.3978 2.4110 0.6044 0.6003 2.4973 2.4933 2.5104 2.4775 2.5057 2.4970 2.5109 2.4773 2.4937 2.4928 2.5214 2.4926 2.4128 2.3971 2.4959 2.4939 2.4951 2.4923 2.4951 2.4942 2.5289 2.5040 2.5263 2.4498 2.5137 2.4815 2.5226 2.5198 2.4034 2.5495 2.5487 2.5572 2.5047 2.4758 2.4058 2.3856 2.5315 2.4675 2.3996 2.3872 2.5045 2.4757 2.5439 2.5437 2.3878 2.3891 3.0631 3.0612 2.4027 2.3907 3.0686 3.0681 3.0651 3.0674 2.5440 2.5437 3.0675 3.0679 3.0656 3.0663 2.5028 2.5231 3.0632 3.0613 2.4950 2.4941 3.0685 3.0680 2.4951 2.4922 2.4959 2.4940 3.0653 3.0670 3.0676 3.0680 2.9823 2.9834 3.0649 3.0655 2.4115 2.3959 2.3976 2.4109 -0.1234 -0.1194 2.4977 2.4940 2.4710 2.4979 0.5970 0.5993 2.5015 2.4941 2.4833 2.5130 2.5091 2.5032 2.4988 2.5037 2.4958 2.4981 2.4832 2.5141 2.5025 2.5222 2.3930 2.4144 2.4042 2.4224 2.4895 2.4975 2.4956 2.4982 2.4680 2.5340 2.4704 2.4971 3.0615 3.0604 3.0652 3.0634 3.0659 3.0627 3.0659 3.0633 3.0649 3.0635 2.5053 2.5123 2.5495 2.5414 2.4216 2.4920 2.5361 2.5278 2.4585 2.5293 2.5050 2.4963 2.9820 2.9833 2.5438 2.5442 2.3942 2.3977 -0.1496 -0.1488 2.3967 2.4074 2.4056 2.3822 2.5434 2.5439 2.4583 2.5415 2.4598 2.5205 2.5407 2.4598 2.3996 2.3894 2.3879 2.3892 2.4040 2.4221 2.3983 2.4083 2.3943 2.3978 2.5021 2.4948 2.5085 2.5027 2.4919 2.4990 2.4955 2.4983 2.3899 2.4147 2.5282 2.5038 2.5187 2.4570 2.4919 2.4991 2.4902 2.4981 2.4940 2.4181 2.4962 2.4982 0.0563 0.0548</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="218">1.6791 1.6601 1.6895 1.6652 1.6630 1.6241 1.6894 1.6648 1.6937 1.6573 0.0168 0.0169 0.0155 0.0152 3.6218 1.3135 0.0000 0.0000 3.9904 1.1448 0.0167 0.0167 0.4158 0.4144 0.0136 0.0135 0.0154 0.0154 0.0141 0.0141 0.0152 0.0152 0.0156 0.0152 0.0146 0.0145 0.0171 0.0172 0.0145 0.0142 0.0155 0.0152 0.0148 0.0144 0.0182 0.0118 0.0165 0.0123 0.0145 0.0145 0.0204 0.0187 0.0142 0.0133 0.0204 0.0189 0.0177 0.0124 0.0168 0.0170 0.0168 0.0114 0.0170 0.0171 0.0177 0.0124 0.0195 0.0195 0.0172 0.0172 1.7081 1.6573 0.0168 0.0169 1.6907 1.6867 1.6726 1.6907 0.0195 0.0195 1.6552 1.6535 1.6752 1.6892 0.0153 0.0184 1.7087 1.6571 0.0148 0.0144 1.6904 1.6864 0.0154 0.0152 0.0146 0.0143 1.6737 1.6921 1.6558 1.6539 0.0416 0.0422 1.6739 1.6876 0.0170 0.0171 0.0167 0.0167 1.3774 3.6025 0.0136 0.0135 0.0157 0.0176 0.4119 0.4118 0.0136 0.0135 0.0149 0.0148 0.0138 0.0138 0.0147 0.0147 0.0154 0.0151 0.0143 0.0143 0.0153 0.0184 0.0167 0.0166 0.0169 0.0168 0.0161 0.0155 0.0145 0.0143 0.0118 0.0168 0.0157 0.0176 1.6792 1.6601 1.6896 1.6670 1.6632 1.6252 1.6870 1.6622 1.6931 1.6570 0.0146 0.0145 0.0185 0.0198 0.0127 0.0166 0.0190 0.0189 0.0129 0.0165 0.0142 0.0142 0.0413 0.0418 0.0197 0.0197 0.0170 0.0170 1.8425 3.2028 0.0168 0.0167 0.0169 0.0171 0.0196 0.0197 0.0114 0.0168 0.0131 0.0165 0.0168 0.0111 0.0170 0.0171 0.0172 0.0172 0.0169 0.0168 0.0168 0.0167 0.0170 0.0170 0.0135 0.0135 0.0138 0.0138 0.0152 0.0146 0.0153 0.0151 0.0168 0.0166 0.0182 0.0118 0.0165 0.0127 0.0152 0.0146 0.0161 0.0155 0.0167 0.0126 0.0146 0.0144 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="218">0.0021 0.0021 0.0021 0.0021 0.0021 0.0020 0.0021 0.0021 0.0021 0.0021 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 0.0021 0.0021 0.0000 0.0000 0.0021 0.0021 0.0020 0.0021 0.0000 0.0000 0.0020 0.0021 0.0021 0.0021 0.0000 0.0000 0.0021 0.0021 0.0000 0.0000 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0021 0.0021 0.0020 0.0021 0.0052 0.0052 0.0021 0.0021 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 0.0021 0.0021 0.0021 0.0021 0.0021 0.0020 0.0021 0.0020 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0051 0.0051 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">-22.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">107</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">14.67 13.64 10.35 10.09 8.80 8.01 6.99 5.76 1.81 1.55 1.37</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">S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">66 57 63 90 96 69 74 81 59 89 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-22.688</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">108</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.68 11.97 10.12 9.46 8.22 7.97 7.56 6.32 1.90 1.77 1.44 1.18 1.03 1.03</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">S S S S S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">97 89 49 91 56 59 82 68 58 74 81 62 14 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">109</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">11.58 11.57 11.06 10.92 9.23 7.53 6.50 5.18 2.64 2.56 1.94 1.91 1.68 1.62 1.33 1.25 1.19 1.12 1.06</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">S S S S S S S S S S S S S S D:x2-y2 S S D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">61 92 99 67 96 91 66 97 89 82 57 74 68 59 6 90 81 11 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.620</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">15.53 14.50 10.15 9.00 8.75 7.07 4.26 3.36 3.32 3.24 2.90 2.60 2.11 1.47 1.46 1.28 1.15 1.05</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">S S S S S S S S S S S S S S D:yz S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -5.054 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">94 34 35 95 27 29 55 26 28 75 24 22 31 52 18 83 101 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">111</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">15.63 12.44 10.77 9.84 8.65 6.06 5.09 4.76 3.37 2.49 2.11 2.06 2.04 1.93 1.86 1.77 1.68 1.67</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">S S S S S S S S S S S S S S D:x2-y2 S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -5.054 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">83 42 40 44 36 25 55 24 26 51 75 50 32 33 4 101 20 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 W Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.507</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">112</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">10.43 8.86 6.76 6.70 6.28 5.84 5.31 5.28 5.13 4.62 4.04 3.85 2.75 2.57 2.36 1.99 1.83 1.21 1.19 1.15 1.14</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">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="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">52 28 51 33 31 50 83 22 34 42 32 53 94 30 41 79 43 27 40 25 29</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">-22.503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">113</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">16.59 15.08 13.78 11.00 7.00 6.96 3.47 3.15 3.12 2.15 2.04 1.47 1.29 1.21</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">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">27 25 29 36 46 85 32 22 31 94 50 44 42 30</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">-22.495</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">114</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.16 10.10 9.77 9.53 9.47 8.77 3.53 3.40 3.21 2.81 2.44 2.35 1.41 1.37 1.35 1.34 1.12 1.12 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">S S S S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">57 90 59 89 63 49 69 56 74 82 68 81 88 77 67 97 99 66 14</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.439</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">115</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">12.34 12.00 11.51 10.02 7.06 5.89 5.51 4.32 3.77 3.71 2.93 2.36 2.03 1.88 1.46 1.33 1.21 1.14 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">S S S S S S S S S S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">42 35 32 95 51 83 40 50 34 44 31 33 47 43 30 21 94 4 52</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">116</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.44 7.07 6.94 6.85 6.71 5.74 5.55 4.94 4.76 4.25 3.34 3.31 2.88 2.86 2.20 1.98 1.95 1.90 1.87 1.58 1.46 1.35 1.30 1.25 1.22 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">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="26"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">25 51 95 36 33 44 52 40 27 29 31 28 35 83 22 84 53 94 50 34 30 32 43 41 79 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">-22.415</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">11.33 9.82 8.51 8.28 7.67 7.01 6.61 6.19 5.38 5.18 4.07 3.22 1.60 1.44 1.35 1.25 1.17</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">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="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">22 28 44 94 34 31 50 40 52 33 32 51 84 43 79 55 24</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">-22.400</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">118</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.76 15.18 7.38 7.28 6.77 6.40 5.21 4.67 4.39 4.14 3.35 3.05 2.24 1.79 1.65 1.49</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">S S S S S S S S S S S S S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">63 49 58 70 74 82 89 66 57 97 67 99 81 14 10 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O 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">-22.368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">119</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">44.59 42.33 2.19 1.86 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">85 46 16 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.352</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">120</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">38.05 35.77 3.03 2.50 2.23 2.13 2.09 1.91 1.29 1.06 1.06</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">S S S S D:yz D:yz S S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">46 85 25 36 16 1 27 29 1 33 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O W W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.341</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">121</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.44 12.08 11.82 10.67 7.99 4.20 4.11 4.04 3.97 3.89 3.21 2.91 2.41 2.29 2.04 1.59 1.45 1.33 1.09 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">S S S S S S S S S S S S S S S S S D:yz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">69 81 56 68 62 91 60 96 59 90 92 61 57 89 74 103 82 8 13 12</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 Tc O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">122</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.49 9.33 9.14 8.93 6.62 6.01 5.73 5.70 3.69 3.52 3.50 3.19 3.04 2.84 2.76 2.46 2.29 1.87 1.02</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">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="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">61 92 96 91 99 67 66 97 68 93 81 49 64 63 65 86 78 87 54</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">-22.290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">123</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">48.25 8.57 6.24 5.54 5.11 3.14 2.38 2.27 2.12 1.77 1.77 1.73 1.56 1.38 1.14</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">S S S S S S D:xy S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 0.80 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="15">43 30 53 27 29 52 2 83 28 94 25 40 36 50 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O 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">-22.286</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">124</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">44.65 19.94 11.10 3.36 2.48 2.33 1.57 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">30 43 53 31 29 3 84 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.282</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">125</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">49.01 20.62 3.88 2.71 2.31 1.68 1.65 1.62 1.60 1.44 1.10</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">S S S S D:xy S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">53 30 43 35 18 79 40 28 22 52 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O 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">-22.272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">126</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">60.46 4.87 3.81 3.31 2.80 2.68 2.18 2.07 2.02 1.57 1.54 1.27 1.13 1.02 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">S S S S S D:xz S S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">84 30 34 27 42 17 53 44 22 25 17 31 29 51 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O W O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">127</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">45.56 11.60 5.48 3.86 3.74 3.10 3.00 2.82 2.31 2.19 1.54 1.44 1.43 1.20</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">S S S S S S S S S D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">79 53 36 94 35 84 40 25 43 19 32 50 41 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">128</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">32.08 31.83 6.53 5.32 4.33 4.02 1.13 1.07 1.04 1.01</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">S S S S S S S D:yz D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">88 77 58 70 60 62 81 11 6 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">129</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">30.09 12.42 8.28 6.19 5.30 5.18 3.53 2.52 2.29 2.12 2.01 1.71 1.67 1.52 1.45 1.35 1.30 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">S S S S S S S S S S S S D:x2-y2 S S S S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">79 84 41 95 44 83 94 43 34 35 51 36 19 40 30 25 21 42 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">130</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.07 9.47 9.30 9.07 9.05 8.30 5.85 5.78 3.29 3.05 2.80 2.40 2.05 1.85 1.56 1.32 1.14 1.05</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">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="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">56 66 97 49 69 63 67 99 96 91 78 87 92 61 88 68 93 64</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">-22.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">131</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">51.63 5.16 5.06 4.37 4.16 3.84 3.52 3.43 2.96 2.06 1.56 1.31 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">S S S S S S S S D:z2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</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 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">41 40 35 83 47 79 94 43 4 32 33 53 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">132</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">42.68 41.50 1.96 1.92 1.29 1.24 1.24 1.22 1.17</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 D:yz D:yz S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">77 88 6 11 96 99 67 91 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.207</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">133</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">21.02 18.92 12.75 8.93 6.61 4.55 3.35 3.33 2.48 2.12 1.68 1.12 1.08</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 D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</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 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">41 21 47 42 34 95 84 44 83 94 4 50 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">134</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">13.05 11.84 11.53 8.67 5.32 4.71 4.47 4.21 3.65 3.61 3.08 2.91 2.80 2.17 1.79 1.75 1.38</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">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="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">68 74 61 67 78 86 69 92 82 54 81 96 97 99 49 59 64</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">-22.184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">135</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.26 8.62 8.18 7.25 7.05 6.50 6.47 5.42 3.30 2.94 2.70 2.53 2.49 2.33 2.29 2.22 2.10 1.67 1.57 1.44 1.14 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">S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">82 81 65 99 87 56 92 70 78 23 93 86 60 66 69 91 58 63 88 67 90 64</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">-22.176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">136</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">25.05 8.85 7.67 5.73 5.54 4.96 4.67 4.43 3.85 3.68 3.53 3.50 3.29 2.73 2.05 1.64 1.08</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">S S S S S S S S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">47 21 29 28 22 27 31 52 33 50 32 51 36 25 35 5 83</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.162</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">137</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">40.42 5.23 5.04 4.87 4.68 4.67 4.41 3.94 3.56 3.42 2.79 1.52 1.46 1.45 1.35 1.30 1.24 1.23</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">S S S S S S S S S S D:x2-y2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">47 22 29 40 27 52 25 28 21 31 5 33 35 94 32 50 95 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O 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">-22.157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">138</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">52.09 10.87 6.25 3.91 3.46 3.13 2.84 2.32 1.86 1.40 1.05</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">S S S D:z2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">21 44 95 20 34 42 35 40 47 41 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O 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">-22.143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">139</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.57 10.55 10.26 8.50 8.19 6.06 3.94 3.13 2.95 2.87 2.87 2.75 2.61 2.44 2.30 1.38 1.35 1.30 1.28 1.20</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">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">60 77 88 62 58 70 92 23 54 82 86 65 61 74 93 64 97 91 63 49</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">-22.114</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">140</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">11.75 11.61 10.76 10.53 9.64 9.46 6.77 5.63 5.60 4.94 4.88 4.81</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">25 36 32 51 33 50 29 22 28 31 52 27</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">-22.094</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">141</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">55.69 19.94 3.34 3.10 2.21 1.39 1.28 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S D:x2-y2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">78 65 15 86 63 74 67 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">142</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">41.32 23.67 4.62 4.16 4.09 3.52 2.85 2.15 1.61 1.41 1.32</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">S S S S S S S S D:yz D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">65 86 78 87 99 66 97 67 9 14 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.082</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">143</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">36.85 35.77 3.30 2.29 2.23 2.00 1.79 1.70 1.50 1.48 1.34</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">S S S D:z2 S D:z2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">87 86 49 10 65 14 68 99 78 93 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O W O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">144</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">17.98 16.61 13.79 12.67 7.14 4.91 4.73 4.22 3.49 2.59 2.21 2.00 1.63</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054</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">24 75 55 26 40 35 95 44 94 83 34 42 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.065</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">145</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">21.65 12.20 10.59 9.58 8.20 8.15 6.88 1.86 1.86 1.57 1.29 1.25 1.25 1.00</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">S S S S S S S S S D:z2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">87 93 86 65 78 70 58 62 67 10 54 74 69 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.049</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">146</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">43.96 11.91 10.50 5.15 2.65 2.35 2.19 2.10 1.76 1.50 1.49 1.20 1.19</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 D:xy S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">93 23 87 64 82 96 8 61 92 56 86 70 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O 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">-22.038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">147</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">37.44 16.70 16.60 5.32 3.35 2.22 1.55 1.52 1.21 1.15 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">S S S S S S D:xy S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">54 64 93 23 81 91 12 63 61 78 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">148</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">49.96 25.75 4.53 2.95 2.23 1.54 1.39 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S D:x2-y2 D:xz S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">64 23 54 68 13 7 56 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">149</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">29.61 26.73 9.86 7.68 3.43 2.72 2.60 2.46 1.51 1.45 1.37 1.05 1.02</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 D:xz D:xy S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -4.492</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 0.80 0.80 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">23 54 62 60 92 64 58 61 7 12 93 67 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.997</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">150</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.27 8.48 7.79 6.81 6.12 6.06 5.66 5.41 5.04 4.68 3.95 3.75 3.43 2.03 1.37 1.30 1.28 1.26 1.05 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">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="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">69 62 58 56 63 74 70 81 60 54 49 68 82 23 61 64 93 99 92 90 67</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">-21.955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">151</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.29 10.31 10.22 7.98 7.51 7.16 5.73 5.35 4.66 4.11 3.66 2.21 1.94 1.40 1.14 1.14</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">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">56 69 82 49 74 68 63 23 81 64 54 87 93 59 90 78</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">-21.919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">152</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.17 13.75 11.24 10.07 8.66 6.25 5.75 5.27 5.00 4.97 4.08 3.39</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">55 26 75 24 44 40 95 34 42 94 83 35</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">-21.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">153</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.83 13.65 12.33 8.22 8.20 7.95 7.93 4.07 3.99 3.67 3.41 3.39</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">70 60 58 99 97 66 67 91 96 62 61 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">-21.877</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">154</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">17.79 12.06 9.52 9.41 8.67 8.62 8.41 4.92 4.47 3.96 3.59 2.79</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">75 24 26 83 94 35 40 42 55 34 95 44</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">-21.859</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">155</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.77 11.81 8.32 8.26 8.12 7.93 7.18 5.86 4.57 4.42 4.24 4.08</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">60 62 61 92 91 96 70 58 97 66 99 67</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">-21.820</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">156</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">18.55 14.18 13.49 10.87 8.33 7.10 5.27 3.33 2.35 2.34 2.21 1.53 1.27 1.05</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">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">57 89 90 59 74 82 69 56 70 60 81 68 63 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-21.817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">157</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.03 12.25 11.30 9.99 8.77 8.37 6.76 5.83 4.93 4.54 4.47 3.99</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">26 55 42 95 44 34 75 24 83 40 35 94</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">-21.675</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">158</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">17.29 13.55 11.00 10.30 8.07 7.75 7.38 6.26 4.69 3.70 2.35 1.90</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">89 57 59 82 90 74 56 69 68 81 49 63</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">-21.620</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">159</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">19.48 14.10 12.70 8.85 8.38 7.36 5.77 4.83 4.78 3.56 2.93 2.24</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">90 81 59 74 68 57 82 89 63 69 49 56</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">-21.557</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">160</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">17.68 15.75 10.91 10.48 9.09 7.35 5.78 5.44 4.63 3.90 3.57 2.53</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">59 68 90 81 82 89 74 49 57 56 63 69</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">-21.537</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">161</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="4">95.15 1.79 1.34 -1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">S P:x D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-24.020 -0.773 -6.681 -0.773</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">2.00 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">38 101 103 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">O Tc Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.334</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">162</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">15.67 11.35 9.99 8.27 8.24 6.74 4.83 4.76 4.75 4.50 3.93 3.20 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y S P:z S P:z S S S S P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">39 48 106 45 106 37 37 48 45 39 37 45 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O P O 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">-14.201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">163</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">11.93 11.81 10.29 9.48 8.29 8.05 4.85 4.85 4.81 4.70 4.69 2.67 2.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:y P:x S P:z S P:z S S S S P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">80 73 107 76 107 71 76 80 73 71 71 76 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O P O 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">-12.376</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">164</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">37.41 36.59 12.40 6.38 5.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 109 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">165</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">37.64 24.44 10.83 10.09 4.19 1.43</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:x P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">109 108 109 108 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">166</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="3">52.58 42.97 3.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="3">1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="3">P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="3"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="3">2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="3">108 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="3">Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">167</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">38.13 33.53 16.07 2.82 1.72</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:x P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 108 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.277</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">168</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">75.89 12.46 4.55 1.64 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">109 109 108 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.270</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">169</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="4">60.21 29.07 3.03 2.60</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">108 108 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">170</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">31.75 7.48 7.17 7.06 5.59 2.32 2.17 2.06 2.01 1.96 1.95 1.69 1.62 1.43 1.43</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 2 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:y P:x P:x P:y P:z P:x P:x S D:yz P:z P:y P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 2.224 -9.089 -9.089 -9.089 -9.089 -24.020 -6.681 -9.089 -9.089 -13.534 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.33 2.00 1.00 1.33 1.33 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">39 45 48 106 106 37 37 37 48 39 100 39 45 108 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O P P O O O O O Tc O O Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">171</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">20.64 15.36 7.67 4.63 3.29 3.29 3.17 2.87 2.62 2.24 2.00 1.97 1.87 1.79 1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:y P:y P:x P:y P:z P:y P:z P:z P:z S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -9.089 -9.089 2.224 -5.485 -9.089 -9.089 -9.089 2.224 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.00 1.33 1.33 1.33 0.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">48 45 45 106 39 48 106 106 37 37 39 106 48 45 3 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P O O P P O O O P O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.985</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">172</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">17.76 10.40 6.69 6.68 4.68 3.27 3.26 3.04 2.91 2.89 2.79 2.44 2.42 2.03 1.45 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:y P:y P:z P:z P:z P:z S P:x P:y P:y P:y P:x P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -5.485 2.224 -9.089 -24.020 -9.089 -5.485 -9.089 -9.089 -9.089 2.224 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.00 0.00 1.33 2.00 1.33 1.00 1.33 1.33 1.33 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">37 37 45 48 106 106 39 37 45 106 48 39 37 106 5 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O P P O O O P O O O P W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">173</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">18.20 11.36 5.29 4.81 4.69 4.39 4.29 4.08 3.41 2.45 2.41 2.31 1.80 1.58 1.54 1.33 1.30 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:z P:x P:x P:z P:x P:y P:z S P:y P:y P:y P:z D:x2-y2 P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -9.089 2.224 -24.020 -9.089 -5.485 2.224 -9.089 -6.681 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 1.33 1.00 0.00 1.33 1.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">71 71 80 73 71 107 76 76 107 71 73 107 107 73 102 80 80 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O P O O P O O P P O Tc O O W</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">174</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">21.28 17.92 6.65 4.26 3.13 3.00 2.81 2.64 2.58 2.31 2.17 2.04 1.92 1.86 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:y P:z P:y P:y P:x P:z P:y P:z P:z S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -5.485 2.224 -9.089 -9.089 -9.089 -9.089 2.224 -9.089 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.00 0.00 1.33 1.33 1.33 1.33 0.00 1.33 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">80 76 76 107 107 107 73 80 71 71 107 73 76 80 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P P P O O O O P O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">175</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">29.19 8.79 7.23 6.51 4.81 4.80 3.56 2.74 2.23 1.67 1.53 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y P:z P:x P:x P:x P:y S P:x P:z D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -9.089 2.224 -9.089 -24.020 -9.089 -9.089 -4.492 -5.485 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.00 1.33 0.00 1.33 2.00 1.33 1.33 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">73 80 76 107 71 107 76 73 80 80 12 107 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O P O P O O O O W P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">176</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.43 5.72 4.67 4.64 4.08 3.51 3.28 2.99 2.92 2.67 2.65 2.54 2.47 2.36 2.24 2.18 1.99 1.93 1.87 1.81 1.75 1.70 1.61 1.54 1.48 1.29 1.22 1.09</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:y P:x P:z P:y P:x P:x D:z2 P:y D:x2-y2 P:y P:y P:y P:x P:y D:x2-y2 P:z D:yz D:x2-y2 P:z P:z P:z D:xz P:y D:z2 D:xy D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">33 50 31 51 32 22 52 1 36 16 25 29 27 28 52 1 36 16 20 25 29 27 2 28 5 16 4 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W O W O O O O O W O W W O O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">177</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.78 5.29 5.15 4.74 4.72 4.28 3.81 3.48 3.33 3.27 2.80 2.73 2.63 2.35 2.28 2.24 1.88 1.61 1.45 1.37 1.27 1.24 1.23 1.20 1.11 1.10 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:z P:y P:x P:x P:z P:y P:y P:x P:y P:x P:y P:y P:z P:y P:z P:y P:z P:z D:xz D:x2-y2 D:x2-y2 D:yz P:z D:x2-y2 D:x2-y2 D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</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 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">33 50 31 22 51 32 29 52 36 28 52 27 29 25 36 28 27 25 2 3 1 16 31 20 4 1 5</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 W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">178</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.56 5.34 4.93 3.72 3.66 3.64 3.48 3.35 2.97 2.95 2.86 2.73 2.62 2.56 2.56 2.34 2.28 2.23 1.83 1.57 1.54 1.50 1.24 1.19 1.19 1.18 1.16 1.08 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:x P:y P:y P:z P:x P:y D:x2-y2 P:y P:z D:x2-y2 P:y P:z D:z2 P:z P:y D:xz D:xy P:y P:z D:x2-y2 P:z D:xy D:yz P:y D:x2-y2 P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</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 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">91 92 96 96 62 67 61 99 11 60 62 6 61 97 11 60 66 12 6 58 91 13 58 7 6 70 10 92 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W O O W O O W O O W W O O W O W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.538</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">179</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.89 8.34 6.78 6.21 3.68 3.51 3.12 2.91 2.80 2.75 2.32 2.17 1.95 1.91 1.90 1.87 1.72 1.71 1.70 1.53 1.26 1.26 1.24 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:y P:z P:y P:y P:y P:x P:z P:x P:z D:x2-y2 P:y P:x D:yz D:z2 P:x D:yz P:y P:z P:y D:xz D:x2-y2 P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</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 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 99 97 66 58 70 91 58 92 70 10 62 96 6 15 61 11 96 62 61 15 14 60 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O W O O W W O W O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">180</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.84 6.28 4.97 4.85 4.77 4.33 3.06 2.91 2.69 2.66 2.56 2.33 2.20 2.06 2.03 2.02 1.99 1.90 1.86 1.81 1.74 1.73 1.53 1.45 1.44 1.30 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:y P:x P:x P:x P:y P:y P:z P:x D:x2-y2 D:xy P:x P:z P:z D:z2 D:x2-y2 D:z2 D:x2-y2 P:z D:x2-y2 P:x P:y P:x D:xz D:xz D:yz P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -4.492 -6.681 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -4.492</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 1.00 1.00 1.33 1.33 1.33 1.00 0.80 1.00 0.80 1.33 1.00 1.33 1.33 1.33 0.80 1.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">35 24 83 75 94 83 24 40 100 100 42 95 75 100 19 101 5 34 101 55 40 26 2 100 18 44 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O Tc Tc O O O Tc W Tc W O Tc O O O W Tc W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.380</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">181</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.88 6.64 5.73 5.72 4.98 4.33 3.45 2.96 2.53 2.34 2.21 2.11 1.95 1.82 1.76 1.65 1.54 1.52 1.49 1.43 1.34 1.22 1.20 1.19 1.14 1.13 1.10 1.10 1.09 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:x P:z P:z P:x P:x P:x P:z P:x D:x2-y2 D:xz P:z P:y D:xz D:x2-y2 P:z P:y D:yz S P:z D:xz P:x P:x D:z2 S D:yz P:y D:xy P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -5.054 -9.089 -4.492 -9.089 -9.089 -4.492 -5.054 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681</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 1.00 1.33 1.33 0.80 0.80 1.33 1.33 0.80 2.00 1.33 0.80 1.33 1.33 0.80 2.00 0.80 1.33 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">55 95 34 42 44 26 55 24 20 100 26 35 17 4 42 94 17 101 24 20 75 40 4 100 3 83 17 83 55 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O W Tc O O W W O O W Tc O W O O W Tc W O W O O Tc</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">182</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.26 7.94 6.94 5.44 5.21 4.86 4.39 4.03 4.01 3.49 3.46 3.44 2.29 2.15 2.12 1.37 1.19 1.19 1.09 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:x P:y P:x P:x P:z D:z2 P:y D:x2-y2 P:x P:y D:x2-y2 D:yz P:y D:xy P:z D:yz P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">33 31 50 52 22 51 1 32 16 28 52 1 16 28 16 31 1 50 4 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O W O O W W O W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">183</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.56 5.49 5.21 3.73 3.69 3.50 3.22 3.12 2.91 2.87 2.73 2.70 2.50 1.75 1.71 1.71 1.69 1.69 1.56 1.50 1.42 1.38 1.28 1.23 1.17 1.09 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:x P:y P:y P:z P:x P:x P:x P:y P:x D:x2-y2 D:xz P:y P:z P:x P:x P:z P:z P:z D:x2-y2 D:x2-y2 S D:yz P:x D:x2-y2 P:y D:yz D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -5.054 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</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 1.33 1.33 1.33 1.00 0.80 2.00 0.80 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">57 69 81 57 90 89 74 74 63 15 12 63 56 82 49 89 90 68 102 9 103 8 59 10 57 12 15 7</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 O O O Tc W Tc W O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.02 9.43 6.49 6.13 6.03 5.04 3.94 3.53 3.35 2.76 2.50 2.06 2.05 1.81 1.52 1.15 1.14 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:y P:z P:x P:y P:x P:y P:x P:x P:y D:yz D:yz P:z D:x2-y2 P:z D:xz D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</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 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">33 50 51 31 32 22 52 52 28 28 16 1 31 1 22 2 16 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O W W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">185</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.64 6.25 5.72 5.30 4.81 4.48 3.47 2.95 2.70 2.59 2.07 1.94 1.87 1.82 1.79 1.74 1.69 1.60 1.47 1.45 1.43 1.31 1.31 1.30 1.19 1.18 1.10 1.08 1.05 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:z P:z P:x P:x P:x P:z D:z2 P:y P:x D:x2-y2 P:z P:x D:xz D:xz P:y D:x2-y2 D:xz D:x2-y2 P:x P:z P:x P:y D:yz P:z P:z D:x2-y2 D:yz D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.00 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.00 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">89 68 56 49 82 59 89 102 81 57 10 59 90 7 103 69 14 10 102 63 82 74 74 13 49 57 103 7 15 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O Tc O O W O O W Tc O W W Tc O O O O W O O Tc W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.045</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">186</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.72 8.54 7.76 5.16 3.51 3.30 3.18 2.91 2.87 2.73 2.62 2.57 1.86 1.80 1.73 1.61 1.55 1.45 1.14 1.07</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:z P:y P:z P:x P:x D:x2-y2 P:y D:xz D:yz P:x P:x D:yz P:y P:y D:xy D:z2 D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">29 29 27 27 52 31 3 52 2 18 28 22 3 28 36 17 18 17 36 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O W W O O W O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.015</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">187</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">12.85 8.69 7.19 5.14 5.00 4.97 3.17 3.09 3.08 2.43 2.40 2.15 1.92 1.89 1.85 1.69 1.47 1.45 1.27 1.22 1.07 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:z P:y P:z P:z P:y P:z D:x2-y2 P:y D:z2 D:x2-y2 P:y D:yz D:yz D:xz D:xz P:z P:y D:xy P:x P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</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 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">36 36 25 25 33 50 51 20 32 5 4 29 4 19 5 19 29 27 19 31 27 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W O W W O W W W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">188</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">33.18 7.67 6.34 5.45 5.12 3.23 2.55 2.12 1.73 1.33 1.30 1.26 1.17 1.11</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">P:y S P:z D:xz D:x2-y2 S P:x P:x S P:z P:y D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -6.493 -9.089 -6.681 -6.681 -24.020 -9.089 -9.089 2.471 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.00 1.33 1.00 1.00 2.00 1.33 1.33 0.00 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">98 105 98 100 100 98 83 24 105 24 39 5 31 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O H O Tc Tc O O O H O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.953</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">189</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">8.30 7.17 6.37 5.43 5.11 4.78 4.49 4.20 3.97 3.69 3.31 3.15 2.38 2.37 2.04 1.80 1.47 1.29</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:z P:y P:x P:z P:x P:y P:y D:z2 D:x2-y2 D:x2-y2 P:x D:yz D:xy P:y P:z D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</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 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">91 67 99 96 97 92 66 96 11 6 11 61 6 6 61 91 14 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O W W W O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">190</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">9.69 9.16 7.12 6.85 6.63 4.50 4.47 3.77 2.89 2.87 2.37 2.37 2.31 1.74 1.49 1.36 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:z P:y P:z P:y P:x P:x P:y P:x P:x P:y D:yz D:yz P:z D:x2-y2 P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</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 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">67 99 97 66 91 92 96 96 61 61 11 6 91 11 92 6 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.854</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">191</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.30 5.60 5.54 3.83 3.76 3.52 3.13 2.98 2.83 2.37 2.19 2.07 2.06 2.00 1.80 1.52 1.47 1.36 1.35 1.31 1.21 1.14 1.12 1.11 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:x P:x P:x P:z P:x P:x P:z P:z P:x P:z D:xz P:z P:z P:y D:x2-y2 P:x D:xz P:y P:x P:y D:x2-y2 P:y D:x2-y2 D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</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 1.33 1.33 1.33 0.80 1.33 0.80 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="25">55 26 24 55 75 42 34 26 44 24 17 95 75 94 4 40 20 35 83 83 5 39 19 2 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O W O W 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">-10.823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">192</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.75 6.26 5.38 5.21 4.61 4.50 4.19 2.69 2.68 2.64 1.92 1.83 1.83 1.79 1.73 1.73 1.65 1.37 1.27 1.24 1.19</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:y P:x P:y P:z P:z P:z P:z P:z P:y D:yz P:y P:z D:x2-y2 P:x S D:xz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.493 -6.681 -4.492 -4.492</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 0.80 1.33 1.33 0.80 1.33 1.00 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">24 55 75 98 26 94 34 24 75 26 95 83 18 35 55 19 42 105 100 17 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O W O O W O H Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">193</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.43 8.93 6.09 4.75 4.53 3.76 3.16 2.74 2.58 2.51 2.39 2.13 2.03 2.01 1.90 1.75 1.74 1.68 1.20 1.19 1.10 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">P:y P:z P:y P:z P:x P:x D:x2-y2 D:xz P:x P:y D:yz P:y P:x D:yz P:y P:z D:z2 D:x2-y2 D:xy P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">62 62 60 60 91 96 13 12 92 96 8 70 61 13 61 70 8 7 7 97 66 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W W O O W O O W 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">-10.742</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.30 8.95 6.83 5.55 4.20 4.14 3.99 3.56 2.79 2.75 2.54 2.39 2.34 2.13 2.04 1.44 1.37 1.31 1.26 1.15 1.15 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:z P:y P:z P:y P:z P:z P:y P:y D:x2-y2 D:x2-y2 D:xz D:z2 P:z D:yz P:y D:xz D:xy D:yz P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</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 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 70 58 58 99 67 97 66 62 10 14 9 15 62 14 60 15 9 9 60 91 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O W W W W O W O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.660</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">195</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">17.31 8.07 5.64 4.00 3.87 3.77 3.74 3.61 3.11 2.96 2.90 2.69 2.65 1.94 1.28 1.24 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">P:y P:x P:x S P:x P:y P:y P:z P:z P:z D:x2-y2 P:x D:x2-y2 S P:y D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.493 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -24.020 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 2.00 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">72 90 57 104 63 63 81 90 57 72 9 74 15 72 57 8 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O H O O O O O O W O W O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.619</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">196</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="39">3.41 3.28 3.21 2.96 2.79 2.78 2.46 2.42 2.39 2.35 2.24 2.16 1.98 1.91 1.77 1.77 1.73 1.73 1.66 1.65 1.64 1.63 1.62 1.56 1.55 1.42 1.42 1.38 1.35 1.33 1.32 1.27 1.25 1.22 1.15 1.12 1.09 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="39">P:x P:x P:x D:xy P:y P:x P:x P:y D:xz D:xy P:z P:z P:z P:z D:z2 P:y P:x D:xy D:xz P:y D:z2 P:y P:z P:z P:y P:z P:y D:xy D:xz P:y D:yz D:xz P:z P:z D:xy P:y D:yz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="39">50 32 33 4 42 51 36 55 1 20 28 52 24 83 2 26 25 16 19 44 18 95 31 40 31 75 22 100 16 34 3 5 27 22 1 83 17 35 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">O O O W O O O O W W O O O O W O O W W O W O O O O O O Tc W O W W O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">197</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.85 10.05 6.60 5.51 5.31 4.00 3.16 3.14 2.98 2.13 2.11 1.69 1.68 1.65 1.60 1.51 1.44 1.39 1.10 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:x P:z P:z P:z D:x2-y2 P:x P:z D:xz D:xz P:y D:z2 P:z D:z2 D:x2-y2 D:yz P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">89 59 49 89 68 59 14 82 56 7 10 89 14 49 13 10 13 57 59 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O O W W O W O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">198</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.15 6.73 5.01 4.57 4.43 4.25 3.69 3.59 3.20 3.19 3.16 3.06 2.89 2.58 2.30 1.60 1.42 1.23 1.15 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">P:y P:z P:x D:z2 P:y P:x P:z D:z2 P:y P:x D:x2-y2 P:x D:xz P:y D:x2-y2 D:xz D:xy D:x2-y2 P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -6.681 -6.681 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.00 1.33 1.00 1.00 1.00 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">94 34 42 101 35 44 95 100 83 83 101 40 100 40 100 101 100 5 44 39 45 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O Tc O O O Tc O O Tc O Tc O Tc Tc Tc W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.533</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">199</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">26.43 6.11 6.06 4.69 3.12 3.05 2.94 2.76 2.68 2.64 2.34 2.03 1.72 1.32 1.26 1.22 1.18 1.17 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 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y S P:x P:z P:y D:x2-y2 P:x S P:z P:y D:xz P:x P:x S P:z P:z D:yz P:x P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -6.493 -9.089 -9.089 -9.089 -6.681 -9.089 -24.020 -9.089 -9.089 -6.681 -9.089 -9.089 2.471 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.00 1.33 1.33 1.33 1.00 1.33 2.00 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">72 104 57 72 69 102 90 72 57 81 102 89 71 104 71 68 8 59 90 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O H O O O Tc O O O O Tc O O H O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.470</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">200</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">10.49 5.10 3.09 2.78 2.76 2.67 2.64 2.62 2.55 2.37 2.32 2.31 2.18 2.14 2.13 1.86 1.81 1.77 1.42 1.37 1.30 1.22 1.18 1.10 1.07 1.04 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:z P:y P:x P:y P:y D:xy P:z D:yz P:y P:x P:z P:x P:y P:z D:yz P:x D:x2-y2 P:x D:z2 P:z P:x D:xz P:x D:xz D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 10.371 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 0.80 1.33 1.33 0.80 1.33 0.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">39 94 40 83 35 100 55 2 98 27 35 83 45 45 100 42 101 44 20 32 45 17 37 106 2 94 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O Tc O W O O O O O O Tc O Tc O W O O W O P W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.431</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">201</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.62 5.99 3.39 3.17 2.84 2.50 2.49 2.40 2.02 2.00 1.73 1.58 1.46 1.40 1.33 1.31 1.31 1.30 1.28 1.27 1.26 1.21 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:y P:z P:x P:z P:z P:x P:x P:y P:y P:y P:z D:x2-y2 D:xz P:y D:z2 P:z P:y D:xy P:y P:x P:z P:y D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.00 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 34 42 48 95 48 44 37 24 98 42 17 100 48 101 37 55 2 52 52 50 43 16 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W Tc O Tc O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.376</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">202</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">9.22 4.99 3.65 3.18 2.38 2.34 2.07 1.93 1.91 1.70 1.70 1.61 1.61 1.61 1.60 1.47 1.47 1.45 1.39 1.38 1.34 1.24 1.22 1.21 1.20 1.07 1.07 1.04 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:y P:x P:z P:y P:y P:x P:z P:x P:x P:z D:z2 P:y P:y P:y P:y P:x D:xy D:yz D:x2-y2 D:yz P:x D:xz D:xy P:y P:x P:y P:z P:z P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 10.371 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</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 1.33 1.33 1.33 1.33 1.33 0.80 0.00 0.80 0.80 1.33 0.80 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="30">45 48 48 37 33 29 45 45 31 39 4 48 75 36 46 52 3 106 5 1 26 18 19 39 39 24 26 36 47 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W O O O O O W P W W O W 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">-10.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">203</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.76 3.58 3.33 3.03 2.83 2.64 2.57 2.37 2.31 2.29 2.18 2.08 1.99 1.80 1.78 1.76 1.75 1.73 1.72 1.72 1.70 1.61 1.60 1.46 1.42 1.41 1.38 1.32 1.29 1.25 1.24 1.11 1.11 1.09 1.09 1.08 1.05</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:x P:x P:x P:x D:xy P:z D:xy P:z D:xz P:y P:z P:y D:xy P:x P:y P:y P:z D:xy P:z D:z2 P:y P:x D:xz D:xz P:y D:xz D:z2 D:yz P:z P:y D:yz P:y P:z P:y P:z D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">66 99 67 97 14 96 10 61 11 49 63 89 6 58 91 59 57 11 91 8 92 70 9 15 82 6 12 13 90 68 7 81 74 72 68 13 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O O W O W O W O O O W O O O O W O W O O W W O W W W O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.329</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">204</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.21 4.69 4.20 3.76 3.28 2.95 2.75 2.09 2.08 2.02 1.95 1.70 1.70 1.52 1.42 1.40 1.40 1.37 1.25 1.20 1.18 1.17 1.15 1.11 1.08 1.06 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:x P:z P:y P:z P:y P:z D:xy P:x D:z2 P:x P:y P:y P:y P:z P:z P:z P:y D:z2 P:z D:xz P:y P:x D:z2 P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 10.371 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 1.00 1.33 0.80 1.33 1.33 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">45 48 37 37 39 50 1 55 16 24 31 28 33 22 52 39 51 100 85 16 50 48 106 95 32 95 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O W O W O O O O O O O O Tc O W O O P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.279</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">205</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.22 4.85 3.77 3.70 3.36 2.30 2.17 2.06 1.88 1.84 1.84 1.75 1.63 1.53 1.53 1.44 1.44 1.40 1.37 1.36 1.32 1.29 1.27 1.20 1.12 1.12 1.06 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:y P:y P:z P:y P:z P:y P:z P:y P:y D:yz P:z P:y D:xy P:y D:yz D:x2-y2 P:y P:z P:y P:z D:yz P:z D:x2-y2 D:yz P:z P:z P:z P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</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 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">71 76 80 73 71 80 73 69 67 11 99 88 12 78 6 7 74 56 81 76 15 77 15 10 92 68 87 91 54 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O W O O W O W W O O O O W O W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">206</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.07 4.24 3.91 3.77 2.80 2.76 2.48 2.27 2.09 2.09 2.05 1.79 1.74 1.65 1.43 1.43 1.41 1.27 1.18 1.14 1.12 1.10 1.07 1.05 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:z P:y P:x P:z P:y P:y P:y P:z P:x D:z2 P:x P:z P:z P:x D:x2-y2 P:x P:x P:z P:z P:y P:y D:xy D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">48 34 94 45 39 51 39 83 42 44 16 95 37 32 39 101 40 52 52 45 98 35 1 19 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O O Tc 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">-10.209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">207</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.76 3.09 2.58 2.27 2.07 1.95 1.88 1.71 1.62 1.62 1.55 1.31 1.24 1.23 1.20 1.18 1.17 1.17 1.14 1.14 1.12 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:x P:x P:y D:z2 P:y P:y P:z P:y P:z P:z P:y D:yz P:y D:x2-y2 P:x P:x P:z P:x P:x D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">73 71 37 71 10 73 72 89 57 76 56 76 12 94 15 60 80 34 42 82 103 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W O O O O O O O W O W O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">208</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">5.00 3.91 3.26 2.86 2.03 1.76 1.57 1.40 1.37 1.22 1.15 1.10 1.08 1.03</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:z P:x P:x P:x P:x P:x P:x P:z P:z D:z2 P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">76 80 37 80 76 96 62 91 48 99 14 80 90 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">209</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">3.12 3.10 2.39 2.34 2.27 2.24 2.03 2.01 1.65 1.46 1.40 1.30 1.24 1.12 1.10 1.06 1.02 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:z P:x P:x P:y P:x P:z P:x P:y P:z P:x P:x P:z P:z P:z P:z D:xz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</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 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">73 49 71 72 37 80 82 76 68 76 60 89 56 48 58 103 63 57</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 Tc 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">210</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.13 5.98 5.49 4.95 4.55 4.25 3.62 3.10 2.99 2.54 2.25 2.13 2.07 1.81 1.50 1.35 1.34 1.31 1.15 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:x D:xz P:x D:xy P:z P:y P:z P:x P:x P:z P:z P:y P:y D:xy P:z P:y D:xz P:y D:xy D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">50 1 33 16 28 22 31 51 32 52 24 55 52 20 48 45 5 37 18 1 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O W O W O O O O O O O O O W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">211</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.92 6.25 5.44 5.26 4.42 4.31 3.77 2.57 2.56 2.33 2.31 2.16 1.78 1.78 1.65 1.65 1.61 1.38 1.33 1.23 1.14 1.06 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:y P:x P:x P:z D:z2 P:y P:y P:y P:x P:z D:x2-y2 P:x D:z2 D:x2-y2 D:xy P:z P:z P:z P:y D:xz P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492</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 1.00 1.33 1.00 1.00 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">81 63 49 68 102 63 69 74 82 56 103 74 103 102 103 71 80 49 71 103 63 66 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O Tc O O O O O Tc O Tc Tc Tc O O O O Tc O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">212</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.24 3.05 2.48 2.11 1.91 1.81 1.67 1.51 1.49 1.47 1.40 1.38 1.36 1.27 1.25 1.20 1.19 1.14 1.12 1.08 1.08 1.06 1.05 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:x P:z P:z P:y D:z2 P:y P:x P:x P:z P:z D:xy P:z D:xy D:z2 P:x D:xy D:z2 P:x P:y D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</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 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">36 80 73 27 31 24 55 2 26 33 29 29 75 4 94 17 18 83 19 5 25 52 20 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W O O O O O W O W W O W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">213</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">4.78 4.61 2.38 1.73 1.61 1.57 1.56 1.53 1.51 1.31 1.25 1.19 1.15 1.11 1.10 1.08 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 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:y P:x P:z P:y D:z2 P:z P:x P:y P:y P:z P:x P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">80 73 76 71 55 6 68 36 97 71 73 27 52 91 26 96 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O 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">-10.062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">214</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.47 5.49 4.18 3.42 3.35 3.34 2.53 2.49 2.27 1.70 1.67 1.66 1.51 1.44 1.43 1.42 1.37 1.25 1.25 1.22 1.21 1.20 1.18 1.16 1.05 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:y P:x P:z D:xy P:z P:z P:z P:y P:x P:x P:x P:x D:xy P:y P:y P:z D:z2 P:y P:x D:xy P:y D:yz D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">76 71 80 72 73 76 11 66 80 86 67 61 64 81 68 8 92 76 73 6 97 88 6 91 14 11 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O W O O O O O O O O W O O O W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">215</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.89 3.71 2.80 2.67 2.62 2.61 2.43 2.40 2.36 2.32 2.14 1.94 1.90 1.87 1.81 1.71 1.60 1.42 1.40 1.40 1.38 1.38 1.38 1.33 1.31 1.29 1.23 1.23 1.22 1.22 1.21 1.16 1.16 1.12 1.09 1.09 1.07 1.02</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:z D:yz P:y D:yz P:x P:y P:z P:x P:y P:z P:y D:x2-y2 D:xy P:x P:y P:z D:z2 P:z D:z2 P:z P:z D:yz P:y P:y P:z P:z P:y D:yz D:xy P:z P:z P:y D:x2-y2 D:x2-y2 P:y D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.00 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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.33 1.33 0.80 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">34 94 101 42 100 36 95 29 25 44 35 29 19 20 83 36 40 18 79 3 36 83 5 83 22 28 42 41 3 100 27 32 51 18 100 33 4 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O Tc O Tc O O O O O O O W W O O O W O W O O W O O O O O W Tc O O O W Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">216</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.73 6.68 4.68 4.22 3.68 3.31 2.26 2.18 2.00 1.87 1.76 1.76 1.71 1.56 1.45 1.44 1.42 1.10 1.06 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:z P:y P:y P:x P:x P:z P:z P:z P:y P:x P:y S P:y P:y P:z P:z P:x P:y D:xz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</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 2.00 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="21">68 81 63 49 71 49 73 56 69 82 73 103 74 90 59 82 63 76 8 13 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O Tc 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">-9.935</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">217</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.84 5.74 4.88 4.06 3.59 3.41 3.20 2.90 2.88 2.48 2.46 2.22 2.05 1.95 1.68 1.67 1.53 1.41 1.30 1.25 1.09 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:x P:x D:xz P:z P:z P:x P:z P:x D:xy P:y P:y P:y P:y D:xy P:z D:xz D:xz P:y D:xy D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">67 99 11 91 96 66 61 97 6 96 92 91 89 10 57 6 15 97 11 6 57 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W O O O O O W O O O O W O W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">218</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">2.32 2.28 2.04 1.98 1.98 1.80 1.77 1.70 1.68 1.67 1.65 1.64 1.62 1.57 1.54 1.51 1.45 1.44 1.41 1.38 1.36 1.29 1.24 1.24 1.22 1.21 1.18 1.13 1.11 1.11 1.06 1.05 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">D:x2-y2 D:yz P:y D:z2 P:y P:y P:z P:z D:yz P:z D:x2-y2 P:z D:z2 P:y P:z D:x2-y2 P:y P:y P:z P:x P:x D:xy P:y P:x P:y D:yz D:z2 P:x P:z P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.80 0.80 1.33 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 1.33 1.33 1.33 0.80 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="34">18 5 33 17 29 31 29 27 17 50 2 52 3 22 94 16 27 34 32 25 36 2 51 29 24 20 1 85 55 28 95 47 40 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W O W O O O O W O W O W O O W O O O O O W 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">-9.865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">219</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.22 2.89 2.55 2.34 2.32 2.08 2.04 1.93 1.82 1.82 1.70 1.66 1.65 1.65 1.63 1.61 1.47 1.46 1.46 1.41 1.41 1.41 1.34 1.33 1.33 1.26 1.25 1.23 1.23 1.22 1.20 1.17 1.16 1.14 1.14 1.11 1.06</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:x D:yz P:x P:x P:y P:y P:z P:z P:z P:z P:x D:xy P:z P:y D:xy D:z2 P:z P:y D:z2 D:yz D:z2 P:z P:x P:x D:xy P:x D:z2 P:z D:x2-y2 P:x P:y P:y D:xy D:x2-y2 D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">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 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">70 10 60 62 89 59 91 58 99 57 63 7 90 96 14 12 92 67 15 15 8 62 49 96 13 67 13 81 6 97 61 68 9 7 8 58 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O W O O O O O O O O O W O O W W O O W W W O O O W O W O W O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">220</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.10 3.01 2.52 2.17 2.07 1.89 1.79 1.77 1.70 1.69 1.66 1.66 1.63 1.63 1.52 1.51 1.49 1.47 1.47 1.43 1.42 1.39 1.38 1.38 1.38 1.35 1.33 1.28 1.27 1.24 1.21 1.18 1.08 1.08 1.03 1.01 1.01</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 D:x2-y2 P:z P:y P:y P:y D:x2-y2 P:x D:yz P:x D:z2 P:z D:z2 P:y P:y P:z P:y D:yz P:y D:z2 P:x P:x P:y P:z P:z D:xy P:x P:z P:z P:y P:z D:yz D:yz P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 0.80 1.33 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 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">81 68 62 8 62 97 92 70 9 62 102 70 13 65 6 56 49 66 86 15 91 14 63 58 67 69 70 11 93 96 61 82 99 8 13 77 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O W O O O O W O Tc O W O W O O O O W O W O O O O O W O O O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.692</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">221</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.82 5.52 4.58 3.99 3.57 3.02 2.41 2.37 2.36 2.07 1.75 1.69 1.67 1.51 1.50 1.41 1.33 1.30 1.25 1.20 1.19 1.16 1.10 1.05 1.03 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 D:xy P:x D:x2-y2 D:xy D:z2 P:x P:y P:x P:x P:y P:x D:xz D:z2 P:y P:z D:xy P:y P:z P:z P:z P:z D:yz P:x P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 0.80 1.33 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 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">28 1 46 2 3 17 43 31 51 35 30 95 16 19 95 31 100 24 22 55 27 84 20 52 50 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O W O W W W O O O O O O W W O O Tc O O O O O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.684</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">222</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">1.80 1.67 1.61 1.55 1.54 1.51 1.38 1.37 1.35 1.25 1.20 1.19 1.16 1.12 1.09 1.08 1.04 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:z D:z2 D:yz P:x D:x2-y2 P:y P:x P:z D:z2 P:y P:y P:x P:z P:y P:x D:xy P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 0.80 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 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">22 7 15 70 8 62 58 62 13 91 57 63 81 67 29 18 96 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O W W O W O O O W O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">223</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.68 2.43 2.13 2.06 1.91 1.83 1.77 1.65 1.62 1.58 1.43 1.33 1.32 1.24 1.19 1.19 1.17 1.17 1.16 1.06 1.01 1.01 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:z P:x P:y D:z2 P:x P:x D:z2 P:y D:xz P:z P:z P:y P:y D:xz D:yz P:z P:x D:xy P:z P:z D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">22 85 52 4 29 27 19 41 18 36 79 42 32 16 100 83 32 4 94 35 17 44 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W O O W O W O O O O W Tc O O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.645</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">224</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.97 3.08 2.88 2.22 2.13 1.89 1.71 1.67 1.66 1.60 1.58 1.52 1.51 1.47 1.40 1.40 1.39 1.38 1.36 1.31 1.29 1.21 1.17 1.16 1.14 1.13 1.05 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:x2-y2 D:xz P:x P:x P:x P:x D:xy P:y P:y P:x D:yz P:x P:y P:z D:xy P:x D:xy D:xz P:x P:z P:x P:y P:z P:x P:y D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">18 3 29 53 79 27 19 84 53 94 17 34 27 42 5 30 18 4 28 30 37 75 27 22 39 2 83 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W O O O O W O O O W O O O W O W W O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.639</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">225</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.97 3.51 3.00 3.00 2.78 2.67 2.64 2.55 2.47 2.42 2.38 2.30 2.23 2.10 2.06 1.84 1.83 1.76 1.75 1.62 1.60 1.52 1.45 1.36 1.31 1.29 1.28 1.21 1.14 1.13 1.11 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">P:z P:y P:z P:y P:y D:xy P:x D:z2 D:z2 P:z P:z P:y P:x P:z D:xz P:y P:x P:x P:x P:x D:z2 P:y D:xz P:z P:z P:x P:z D:x2-y2 P:y P:x D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">46 85 39 51 39 19 84 16 1 32 30 75 95 26 4 32 45 48 35 79 3 53 17 51 43 41 25 1 45 26 4 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O W O W W O O O O O W O O O O O W O W O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.566</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">226</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.57 3.21 3.07 3.03 2.47 2.34 2.30 2.12 1.88 1.75 1.73 1.72 1.68 1.63 1.61 1.57 1.50 1.41 1.34 1.31 1.26 1.19 1.16 1.07 1.04 1.03 1.03 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:yz D:xy P:y P:y P:x P:z D:yz D:xz P:x P:x D:xz P:x P:z P:z P:z P:x P:y P:x D:xz P:x P:z P:z P:x D:xy D:xz D:xy P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 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 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">20 5 25 21 47 25 5 4 25 41 3 27 50 53 40 26 30 37 20 34 42 47 43 20 5 3 21 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W O O O O W W O O W O O O O O O O W O O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">227</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.70 4.60 4.41 4.07 3.82 2.49 2.43 2.43 2.18 1.99 1.94 1.67 1.58 1.52 1.31 1.27 1.13 1.13 1.12 1.08 1.08 1.07 1.07 1.05 1.02 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:z P:y P:z P:z D:z2 P:y P:y D:x2-y2 D:yz P:y P:y D:z2 P:z P:y P:z P:z D:xz D:z2 P:z P:z D:x2-y2 P:z P:y D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 85 46 21 37 1 47 51 16 1 33 75 19 32 27 47 79 20 16 50 44 5 53 79 4 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O O W W O O W O O O O W W O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">228</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.26 2.88 2.28 2.27 2.10 2.05 2.04 1.98 1.94 1.86 1.85 1.80 1.78 1.69 1.54 1.50 1.45 1.30 1.29 1.27 1.23 1.19 1.13 1.13 1.10 1.09 1.05 1.05 1.03 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">D:yz P:z P:x D:xz P:x P:z D:yz D:xy P:x P:y P:z P:y P:y D:yz P:y P:y P:y P:z P:y P:y P:z P:z P:z P:x P:z D:xy P:z P:x P:x D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 1.33 1.33 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">5 44 36 20 21 27 20 2 25 21 47 36 31 4 42 84 47 79 41 39 39 25 52 40 43 4 50 85 83 17 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W O O W O O W W O O O O O W O O O O O O O O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">229</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">2.72 2.21 2.19 2.14 2.08 1.99 1.98 1.92 1.90 1.81 1.76 1.73 1.61 1.38 1.31 1.28 1.26 1.20 1.19 1.18 1.16 1.13 1.09 1.08 1.08 1.07 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:z P:z D:xz D:z2 P:z P:y D:xy P:y P:x P:y D:z2 D:x2-y2 P:y P:z D:xy D:x2-y2 P:y D:xy P:z D:xz P:x D:x2-y2 P:z D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">77 66 92 88 6 11 99 61 9 67 97 90 6 6 91 59 11 11 57 13 97 14 88 12 96 8 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W W O O W O O O W W O O W W O W O W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.469</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">230</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.09 3.57 3.11 2.89 2.72 2.44 2.43 2.35 1.81 1.77 1.67 1.48 1.41 1.31 1.29 1.22 1.19 1.16 1.11 1.10 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">D:xy P:z P:x P:y D:xz P:z D:z2 P:y P:y P:z P:z P:x D:xy D:xz P:x P:y P:x P:x P:z P:y P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">5 84 47 24 20 55 17 40 43 44 21 21 17 1 95 27 46 40 43 25 28 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W O O O W O W 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">-9.426</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">231</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.19 2.91 2.47 2.16 2.16 1.99 1.92 1.72 1.63 1.61 1.60 1.56 1.55 1.46 1.40 1.36 1.22 1.20 1.09 1.07 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:x P:x D:yz D:xy P:z P:x P:y P:y P:z P:y P:y P:y D:yz P:z D:x2-y2 P:y D:yz P:z P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">38 60 10 7 58 71 87 99 78 58 61 23 12 54 2 43 15 97 91 38 84 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W W O O O O O O O O W O W O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.404</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">232</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">2.50 2.48 2.12 2.06 2.01 1.81 1.50 1.46 1.30 1.24 1.20 1.19 1.17 1.17 1.12 1.11 1.06 1.05 1.04 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:z P:z D:z2 D:x2-y2 P:y P:x P:z P:y P:z P:y P:y D:xy D:xz P:y P:y P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">43 35 84 17 2 95 37 29 61 32 46 34 19 4 99 49 60 70 92 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W W 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">-9.391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">233</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.67 3.99 3.84 3.61 3.18 2.47 1.92 1.72 1.57 1.56 1.55 1.54 1.44 1.43 1.35 1.33 1.33 1.29 1.28 1.25 1.24 1.22 1.19 1.17</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:z P:z P:z P:y P:y D:xz D:xy P:y D:xz P:z P:z D:xz P:x P:y P:z P:z P:y P:y P:y P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</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 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">71 77 87 71 78 88 10 6 92 14 93 82 8 86 65 61 80 97 90 60 59 76 74 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W O W O O W 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">-9.384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">234</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">2.08 1.96 1.96 1.88 1.82 1.81 1.81 1.75 1.68 1.66 1.57 1.52 1.52 1.50 1.46 1.39 1.33 1.29 1.28 1.21 1.17 1.13 1.10 1.05 1.04 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:x D:xy D:yz D:x2-y2 D:xz D:xy P:x P:x P:z P:x P:x P:y D:yz P:x P:y P:z P:y P:y P:x P:x P:x P:y D:xy D:xz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 0.80 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 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">60 62 8 7 8 13 9 81 65 92 69 38 61 12 93 28 66 56 60 56 28 63 23 12 4 71 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W W W W W O O O O O O W 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">-9.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">235</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">2.83 2.18 1.93 1.75 1.36 1.35 1.32 1.21 1.16 1.05 1.04 1.04 1.04 1.03 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:x P:y P:x P:x P:y P:x P:x P:y P:y P:y P:x P:x P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">22 73 77 79 27 23 31 92 58 46 54 34 70 19 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.362</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">236</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.48 1.83 1.76 1.69 1.65 1.64 1.61 1.57 1.40 1.36 1.31 1.25 1.21 1.17 1.15 1.14 1.13 1.13 1.11 1.11 1.09 1.09 1.06</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:yz P:z P:y P:z P:z P:y D:xz P:x D:yz P:z P:z P:z D:xy P:x D:z2 P:z P:z P:x D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">28 58 15 51 86 65 66 28 18 52 14 84 74 33 13 71 9 53 58 27 4 70 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W O O O O O W O W O O O W O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.350</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">237</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.01 4.00 3.48 2.48 2.26 1.99 1.85 1.81 1.70 1.60 1.49 1.47 1.35 1.33 1.22 1.21 1.18 1.18 1.06 1.05 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:x P:y P:z P:x P:x P:x D:xz P:x D:xy D:yz P:z P:x D:x2-y2 P:x P:y D:xy P:y P:x P:z D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">23 73 73 54 77 69 7 56 11 6 64 22 12 88 88 12 93 79 54 8 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W O W W O O W O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">238</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.69 2.68 2.19 1.86 1.84 1.67 1.65 1.60 1.50 1.50 1.47 1.39 1.37 1.34 1.34 1.31 1.26 1.19 1.10 1.04 1.04 1.03 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:y P:x D:xz P:x P:x D:xz P:z P:y D:x2-y2 P:x P:z P:x P:z P:x P:z P:y P:x P:x P:x P:x P:y P:y D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">28 22 13 31 27 14 49 32 8 86 22 65 51 68 65 90 28 52 64 93 63 52 8 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O W O O W O O W 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">-9.312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">239</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.15 3.88 3.10 2.92 2.80 2.38 2.24 2.21 2.13 2.09 1.66 1.61 1.52 1.48 1.45 1.43 1.36 1.35 1.35 1.34 1.33 1.23 1.18 1.13 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:y P:y D:xz P:x P:z P:z P:x P:y P:x P:x P:y P:z D:xy D:yz P:z P:z P:y P:x D:z2 P:z P:x D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">30 53 25 27 3 22 27 44 34 40 28 94 36 25 18 1 32 51 29 46 16 36 85 101 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O W O O O O O O O O O W W O O O O W O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">240</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.30 6.33 6.20 3.58 2.80 2.57 2.32 2.28 2.14 2.13 2.07 1.93 1.85 1.71 1.62 1.53 1.51 1.48 1.47 1.45 1.40 1.32 1.29 1.25 1.09 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 P:y P:x D:x2-y2 P:x P:x P:z P:x P:y P:z P:y P:z P:y D:yz P:z D:z2 D:xz D:z2 P:x P:x D:z2 D:xy D:x2-y2 P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 1.33 0.80 0.80 0.80 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="26">15 57 78 12 87 69 69 74 54 89 88 54 23 12 66 10 10 7 54 56 11 7 6 74 61 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W O O W O O O O O O O O O W O W W W 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">-9.253</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">241</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.00 4.65 3.82 3.80 3.34 2.51 2.35 2.14 2.00 2.00 1.97 1.86 1.75 1.71 1.70 1.69 1.65 1.51 1.49 1.48 1.43 1.38 1.26 1.20 1.17 1.14 1.13 1.10 1.07</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 D:xz P:z P:z P:x D:x2-y2 P:z P:z P:z P:x P:y P:x D:x2-y2 P:x P:x D:xy P:x P:y D:x2-y2 P:y P:x D:x2-y2 P:x P:y P:z D:xz D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">7 87 10 23 89 56 12 82 93 77 89 64 62 7 82 71 13 23 62 8 97 54 10 60 56 91 8 10 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W O W O O O W O O O O O O W O O W O O W O O W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">242</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.16 9.72 5.35 5.27 4.18 2.72 2.48 1.88 1.88 1.47 1.44 1.35 1.28 1.24 1.15 1.05</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:y P:y P:z P:x P:z P:x P:x P:y P:x P:x P:y P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">51 32 50 33 22 28 28 31 22 32 38 52 52 28 45 25</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">-9.216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">243</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.06 3.75 3.44 2.74 2.48 2.36 1.90 1.76 1.59 1.37 1.34 1.27 1.17 1.16 1.15 1.14 1.14 1.12 1.12 1.09 1.08 1.03 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:z P:y P:z P:y P:z D:yz P:y D:xz P:x P:y P:z P:z P:y P:x D:xy P:z P:z P:x D:yz P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">38 51 32 38 50 33 15 78 103 71 49 23 87 68 70 103 99 73 92 10 96 61 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W O Tc O O O O O O Tc O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">244</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.54 4.32 4.03 3.97 3.77 3.73 3.68 3.52 2.94 2.71 2.58 2.55 2.45 2.08 2.02 1.88 1.87 1.65 1.63 1.37 1.16 1.16 1.05 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:z P:z P:x P:x P:z P:z P:z P:x P:x P:y P:y P:y P:z D:x2-y2 P:y P:z D:z2 P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">27 29 79 27 52 28 41 48 29 31 22 79 45 41 21 19 47 43 4 32 46 85 51 84</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 W O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">245</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">7.85 6.13 6.00 4.16 3.18 3.01 2.93 2.78 2.67 2.08 2.02 1.95 1.95 1.63 1.47 1.45 1.33</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:x P:z P:z P:x P:y P:y P:y P:y P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">25 36 25 36 50 30 32 51 53 43 32 33 51 21 84 33 48</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">-9.138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">246</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.83 2.73 2.56 2.42 2.29 2.29 1.98 1.93 1.90 1.88 1.82 1.80 1.56 1.51 1.49 1.39 1.39 1.34 1.28 1.15 1.12 1.11 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:z P:y P:z P:z P:y P:z P:y P:y P:z P:x P:x D:xy P:x P:z P:z P:x P:z D:xy P:y D:xy P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</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 0.80 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="23">66 97 52 85 39 30 53 84 39 43 29 28 3 22 94 31 47 67 17 99 5 43 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O W 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">-9.124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">247</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">7.61 6.85 3.95 3.83 2.34 2.06 1.90 1.88 1.78 1.51 1.48 1.43 1.24 1.19 1.17 1.13</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:z P:y P:z P:z P:y P:y D:xz P:z P:x D:xy P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">66 97 99 67 58 82 56 15 69 58 10 70 60 74 74 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O W O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">248</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.86 3.79 3.77 2.51 2.49 2.33 2.24 2.16 2.14 2.10 2.07 1.92 1.86 1.62 1.57 1.52 1.46 1.44 1.43 1.34 1.33 1.31 1.30 1.28 1.24 1.16 1.15 1.14 1.13 1.08 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:x D:xz P:x D:xy P:y P:y P:x P:x P:x P:y P:z D:yz P:x P:x P:z P:z P:z D:xz D:xz P:y D:yz P:y P:z P:z P:z P:z P:x P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">93 13 64 8 88 58 65 86 68 70 77 11 81 99 93 70 49 14 9 59 6 90 66 59 58 97 67 90 63 97 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W O W O O O O O O O W O O O O O W W O 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">-9.102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">249</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">2.89 2.88 2.84 2.54 2.49 2.08 2.03 1.94 1.79 1.71 1.63 1.63 1.57 1.51 1.40 1.40 1.39 1.37 1.30 1.30 1.23 1.22 1.15 1.11 1.06 1.06 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:z P:z P:z D:z2 D:x2-y2 P:y P:z P:y D:xz D:z2 P:x P:y D:xy P:x P:z P:x P:z P:x P:x P:x P:y P:z P:z D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">58 86 65 66 6 9 97 58 86 14 14 77 65 11 93 80 64 88 65 86 88 60 49 60 11 92 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W W O O O W W O O W O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.075</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">250</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.68 2.72 2.46 2.43 2.31 2.26 1.89 1.78 1.77 1.70 1.59 1.55 1.43 1.39 1.33 1.32 1.27 1.25 1.21 1.19 1.13 1.10 1.08 1.08 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:x P:y P:x P:z P:z D:xy P:y P:x D:xy P:y D:yz P:z P:x D:z2 P:z P:x P:z D:xy P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 1.33 1.33 1.00 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">94 35 83 21 95 44 53 43 84 19 50 37 100 53 20 79 79 17 44 25 31 20 27 40 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O W O O Tc O W O O W O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.059</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">251</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.28 4.45 4.01 3.25 2.94 1.96 1.85 1.68 1.68 1.65 1.62 1.59 1.53 1.42 1.33 1.33 1.29 1.27 1.25 1.25 1.20 1.13 1.12 1.08 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 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:y P:y P:z P:z P:y P:z P:x P:x P:z D:xz P:z P:x P:x P:z P:y P:x D:xz P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">95 34 42 44 47 46 35 30 37 40 32 30 44 17 43 84 21 33 84 50 20 55 24 31 43 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O W O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.012</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">252</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">5.35 3.68 3.55 3.10 2.74 2.67 2.34 2.12 2.07 2.05 1.82 1.12 1.08</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 P:x P:x P:y P:y P:z P:y P:x P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 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="13">92 97 61 91 61 66 67 96 96 99 61 34 51</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">-9.008</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">253</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.63 2.78 2.31 2.29 2.29 2.26 2.19 2.14 1.93 1.76 1.59 1.51 1.43 1.30 1.30 1.21 1.19 1.18 1.13 1.11 1.11 1.09 1.06 1.06 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:z P:x P:z P:z P:y P:x P:y D:xy P:y P:x P:y D:xz P:x P:z P:z D:z2 D:z2 P:y P:x D:x2-y2 P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">21 44 92 75 28 22 47 26 5 55 95 40 20 91 84 24 3 20 43 24 17 61 35 40 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W O O O W O O O W W O O W 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">254</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.96 5.31 4.37 4.23 3.68 3.44 3.06 2.10 2.04 2.01 1.86 1.81 1.68 1.68 1.66 1.44 1.33 1.28 1.27 1.22 1.13 1.10 1.09</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:y P:y P:z P:z P:x P:x P:z P:z P:y D:xz P:z P:y P:y P:x P:y P:y P:z P:z D:xy P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">93 64 58 70 70 58 80 76 99 66 66 13 97 54 97 88 67 65 86 23 12 67 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O W O O O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">255</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.48 4.16 4.01 2.86 2.39 1.95 1.86 1.71 1.54 1.50 1.48 1.44 1.43 1.26 1.12 1.07 1.04 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:z P:x P:x P:x P:y P:x P:y P:z P:y P:y P:x D:x2-y2 P:x D:xz P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089</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 1.00 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">38 38 92 61 91 96 94 61 30 38 53 21 101 62 1 96 34 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O Tc O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.988</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">256</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.85 4.63 2.58 2.56 2.16 2.15 2.10 1.97 1.49 1.48 1.45 1.39 1.37 1.35 1.26 1.26 1.21 1.16 1.12 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:x P:x P:y P:x P:z P:x D:x2-y2 D:x2-y2 P:z P:x P:x D:yz P:z P:y D:xy P:x D:xz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</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 1.00 1.33 1.33 1.33 0.80 1.33 1.33 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">40 35 75 43 38 24 47 2 100 95 30 40 2 38 83 101 51 3 75 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W Tc O O O W O O Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.972</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">257</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">4.76 3.91 3.29 3.13 2.72 2.37 2.34 2.27 1.88 1.77 1.76 1.69 1.62 1.40 1.36 1.29 1.23 1.19 1.11 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:x P:y D:xy P:z P:y P:y P:x P:x P:y P:x P:z P:z P:z P:y D:xy P:x P:z D:z2 D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.80 1.33 1.33 1.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">79 79 19 53 83 94 26 44 42 94 24 83 26 55 4 75 42 101 18 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O W O O O O O O O O O O O W O O Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.960</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">258</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.33 3.06 2.72 2.29 2.23 1.94 1.81 1.80 1.61 1.57 1.55 1.55 1.54 1.54 1.51 1.49 1.39 1.37 1.35 1.34 1.34 1.29 1.28 1.27 1.26 1.26 1.21 1.20 1.19 1.15 1.11 1.06 1.06</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:xz P:z D:yz P:z P:y P:x P:z P:x P:y P:x P:z D:z2 D:yz P:y D:xz P:x P:x P:x D:xy P:x D:xz P:y P:x P:y P:z P:z D:xy P:z P:z D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">41 4 83 100 52 42 50 22 95 34 31 42 17 101 28 1 35 33 85 1 32 16 30 38 44 43 26 100 34 84 2 22 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O W O Tc O O O O O O O O W Tc O W O O O W O W O O O O O Tc O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">259</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">10.38 8.79 6.44 6.03 6.03 5.18 4.65 4.52 2.08 1.97 1.52 1.43 1.31 1.23 1.09</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:z P:y P:x P:x P:z P:x P:x P:y P:y P:z P:y P:z D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">60 60 62 61 92 62 96 91 76 23 80 78 86 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-8.922</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">260</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.91 3.02 2.88 2.53 2.34 1.88 1.85 1.75 1.72 1.52 1.48 1.34 1.31 1.29 1.24 1.12 1.10 1.07</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:z P:x P:z P:z P:y P:z P:x P:y P:y P:z P:y P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">44 71 87 95 42 54 30 85 34 40 78 35 42 88 34 94 65 92</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">-8.913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">261</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">8.96 5.47 4.81 3.43 3.26 3.18 3.16 2.93 2.84 2.78 2.02 2.02 1.67 1.60 1.55 1.55 1.20 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 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:y P:z P:x P:y P:z P:z P:y P:x P:z P:y D:z2 P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">40 83 35 84 44 43 94 46 46 42 85 94 17 40 85 34 95 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">262</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.03 2.18 1.89 1.88 1.87 1.82 1.79 1.77 1.76 1.62 1.61 1.58 1.36 1.34 1.31 1.15 1.14 1.13 1.11 1.10 1.10 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:x P:x P:z P:x P:z P:z P:x P:y P:x P:y P:y P:x P:x P:z P:y P:z P:x P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">71 44 95 94 87 30 34 53 79 88 85 74 64 67 99 34 65 35 93 78 41 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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">263</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.22 5.99 4.38 4.30 3.64 3.34 3.29 3.02 2.99 2.61 2.54 2.01 1.72 1.66 1.62 1.55 1.52 1.43 1.39 1.39 1.17</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:x P:y P:x P:x P:y P:x P:z P:x D:xz P:z P:z P:y D:x2-y2 P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">46 85 85 46 41 30 79 53 84 43 43 84 46 16 95 21 47 1 29 53 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O W O O O W 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">264</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.00 1.80 1.61 1.56 1.54 1.51 1.48 1.47 1.44 1.43 1.42 1.37 1.36 1.32 1.21 1.21 1.18 1.18 1.17 1.12 1.08 1.08 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:x P:z P:z P:y P:y P:x P:y P:z P:z P:x P:y P:x P:x P:x P:z P:y P:z P:x P:z P:y P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">26 95 30 35 79 55 40 44 34 78 54 75 69 62 41 63 93 24 46 64 85 81 23 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">-8.826</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">265</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.35 3.20 2.44 2.18 1.85 1.82 1.75 1.65 1.56 1.42 1.38 1.30 1.25 1.19 1.16 1.15 1.11 1.10 1.05 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:z P:x P:x P:y P:x P:z P:z D:xy P:y P:x D:x2-y2 P:z P:y P:x P:x P:z P:z P:x D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">85 46 38 78 54 69 38 30 15 53 85 12 82 40 26 87 74 86 56 16 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W O O W O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">266</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.15 3.60 3.25 2.94 2.19 2.10 2.03 1.97 1.86 1.78 1.68 1.65 1.62 1.59 1.51 1.49 1.45 1.41 1.39 1.39 1.34 1.34 1.29 1.23 1.17 1.12 1.09 1.08 1.07 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:y P:z P:z P:y P:y P:y P:z P:y P:z P:x P:z P:z P:y D:x2-y2 P:y P:z P:z P:y D:yz P:z P:z P:x P:y D:x2-y2 D:yz P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 0.80 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="30">82 74 89 57 77 92 65 88 56 78 61 49 73 68 56 7 63 23 49 96 13 59 91 86 73 6 9 90 69 58</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 W O O O O W 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">-8.796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">267</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">4.78 4.51 4.04 3.43 3.36 3.24 3.09 2.85 2.41 2.14 1.80 1.36 1.36 1.35 1.34 1.28 1.12 1.11 1.06</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:z P:y P:x P:x P:y P:z P:x D:z2 P:z D:xy P:x D:xz D:z2 D:xy P:y D:yz P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</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 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">87 23 54 56 78 74 69 69 7 82 15 43 10 10 12 78 12 84 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W O W O W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">268</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.95 4.41 3.72 3.67 2.84 2.82 2.72 2.32 2.05 1.98 1.86 1.85 1.73 1.71 1.63 1.44 1.27 1.18 1.16 1.07 1.07 1.05</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:y P:x P:y P:x P:x P:z P:x P:y P:z P:x D:x2-y2 P:y P:x P:x P:z P:z P:z P:z P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</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 0.80 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="22">56 69 82 53 30 49 68 85 77 53 63 18 81 46 74 88 43 74 84 23 84 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O W 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">-8.786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">269</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.10 4.27 3.77 3.24 3.02 2.62 2.31 2.09 1.96 1.91 1.85 1.84 1.70 1.58 1.58 1.54 1.51 1.38 1.26 1.19 1.15 1.15 1.08 1.07 1.06 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:x P:y P:y P:x P:x D:xy P:z P:y P:z D:xy P:y P:z P:x D:yz D:x2-y2 P:y D:yz P:z P:z P:z P:z P:z P:x P:y P:y D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 0.80 0.80 1.33 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="27">43 84 30 84 53 3 23 31 43 17 28 30 87 2 18 78 17 85 53 52 22 82 56 85 22 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O W O O O W O O O W W O 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">-8.777</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">270</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.67 3.16 2.74 2.27 2.10 1.94 1.85 1.73 1.69 1.69 1.66 1.64 1.55 1.38 1.32 1.30 1.28 1.17 1.16 1.11 1.10 1.05 1.04 1.04 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 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:x D:xy P:y P:z P:y P:x P:x P:z P:z P:x D:xy P:x P:x P:y P:z D:xz D:x2-y2 P:y P:x D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 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="26">46 85 30 43 53 30 1 69 84 85 44 53 56 53 40 3 29 27 84 46 16 16 77 42 1 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O O O O O O O O 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">-8.750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">271</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.70 5.33 3.42 2.74 2.41 2.27 2.26 2.23 2.15 2.10 2.06 1.86 1.62 1.60 1.49 1.26 1.24 1.23 1.05 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:x P:y P:x P:y P:y P:y P:y D:yz P:z P:y D:z2 P:x P:z P:z P:z P:x D:yz P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">75 79 24 46 53 35 47 5 21 85 16 94 47 41 51 53 19 75 25 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W O O W O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.742</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">272</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.68 3.56 2.82 2.64 2.49 2.44 2.34 1.72 1.65 1.59 1.54 1.51 1.49 1.44 1.39 1.22 1.16 1.13 1.12 1.11 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:x P:x P:z P:z P:z P:x P:z P:x P:x P:z P:x P:z P:z P:x P:y D:xz P:x P:z P:z D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">26 55 95 30 41 30 85 41 21 34 34 26 46 79 53 4 47 21 55 3 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 W O O O W 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">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">5.92 5.49 4.20 3.22 2.88 2.53 2.35 2.15 2.04 1.94 1.91 1.79 1.62 1.59 1.59 1.55 1.45 1.27 1.24</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:z P:z P:y P:y D:z2 P:z P:y D:yz D:yz P:z P:y D:yz D:z2 P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">41 79 47 21 85 19 50 33 20 5 51 46 4 4 21 46 32 65 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O W O O W 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">-8.720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">274</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">2.70 2.56 2.11 1.94 1.93 1.92 1.85 1.85 1.76 1.73 1.68 1.55 1.53 1.45 1.45 1.42 1.27 1.25 1.24 1.21 1.18 1.09 1.09 1.07 1.06 1.02 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 D:yz P:x P:z P:z D:yz P:y P:z P:z P:y P:x P:y P:y P:z P:z P:y P:y P:y P:z P:x P:x P:y D:xz P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">41 21 4 86 46 79 20 65 63 93 32 64 79 33 86 85 49 47 64 41 68 82 35 13 54 69 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O O O W O O O O O O O O O O O O O O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">275</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.27 4.75 4.23 2.58 2.30 2.27 2.12 1.95 1.90 1.87 1.81 1.69 1.66 1.62 1.46 1.35 1.28 1.26 1.19 1.17 1.09 1.06 1.05 1.04 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:y P:z P:x P:x P:x P:z P:z P:y P:z P:y D:z2 P:z P:z P:y P:z D:yz P:z D:yz P:y P:x P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">88 88 56 49 63 82 78 96 69 81 77 13 64 68 87 57 7 86 11 70 64 87 59 92 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O W O O 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">-8.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">276</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.82 8.27 5.40 5.13 2.21 1.88 1.86 1.85 1.79 1.76 1.74 1.69 1.62 1.61 1.44 1.31 1.29 1.10 1.07 1.03 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">P:z P:y P:y P:y P:z P:y P:z D:yz P:x D:x2-y2 P:z P:y P:x P:y P:y D:xz P:x P:y D:x2-y2 P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</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 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">77 77 93 88 64 65 86 6 81 8 88 69 38 78 80 8 74 63 13 87 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O W O O O O O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">277</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.64 6.24 4.11 3.31 3.12 2.94 2.85 2.72 2.58 2.45 2.31 1.82 1.71 1.65 1.56 1.47 1.34 1.20 1.10 1.07 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:z P:y P:x P:z D:x2-y2 P:y P:x P:x D:z2 P:y D:xz P:z D:xy P:x P:x P:y P:x P:y D:z2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 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 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">64 93 86 49 8 63 65 68 13 53 14 30 9 57 30 65 81 81 102 89 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O W O O O W O W O W 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">-8.638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">278</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">9.09 7.74 7.44 4.85 4.69 4.57 2.27 1.83 1.57 1.53 1.53 1.52 1.28 1.10 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:y P:x P:z P:y P:x P:x P:z P:z P:z P:x P:y P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">79 30 41 47 53 84 21 79 84 43 43 53 41 45 75</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">-8.617</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">279</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.89 3.43 3.31 3.08 2.80 2.69 2.68 2.67 2.63 2.52 2.50 2.16 2.12 2.07 2.02 1.97 1.90 1.49 1.46 1.44 1.38 1.33 1.32 1.32 1.31 1.25 1.17 1.17 1.13 1.11 1.11 1.04 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:y D:xz P:z P:y D:xz P:z P:z D:xy P:x P:x P:z P:x P:x P:y P:z P:y P:z P:x P:x P:z P:z P:z D:x2-y2 D:yz D:yz P:z P:y P:y P:z P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 0.80 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 0.80 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="33">77 11 88 49 6 87 63 6 97 99 74 66 58 82 96 78 65 70 67 92 91 70 11 102 103 61 86 68 67 61 69 91 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O W O O W O O W O O O O O O O O O O O O O O W 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">-8.615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">280</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">12.87 10.93 8.54 5.89 5.34 5.17 4.57 2.14 2.06 1.40 1.34 1.23 1.17 1.11 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:z P:y P:z P:x P:y P:x P:y P:x P:z D:z2 P:x P:y P:x D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</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 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">21 47 41 84 43 43 79 53 84 20 30 53 39 5 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.596</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">281</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.55 8.23 3.34 2.90 2.67 2.55 2.46 2.40 2.39 2.38 2.30 2.06 2.06 1.74 1.58 1.57 1.57 1.56 1.52 1.47 1.47 1.46 1.41 1.40 1.39 1.12 1.09 1.07 1.07 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:y D:z2 P:z P:x P:z P:z D:xy P:y D:yz P:x D:yz P:z P:z D:z2 D:z2 P:z P:y P:x P:z P:z D:xz P:y P:z P:y P:x P:x D:yz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 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 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">86 65 6 78 77 77 87 11 88 9 88 15 99 64 11 9 58 93 23 70 97 6 77 88 54 87 97 14 78 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O W O O O O W O W O W O O W W O O O O O W O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.594</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">282</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.23 8.51 5.89 5.33 5.02 4.08 3.78 3.77 3.40 2.52 2.18 1.81 1.80 1.80 1.71 1.68 1.63 1.55 1.29 1.12 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 D:yz P:z P:y P:z D:yz P:y P:y P:y D:z2 P:z D:z2 D:yz P:z P:x P:y P:y D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">87 86 65 10 78 67 88 14 78 66 97 9 77 14 15 99 78 70 58 14 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O W O O O W O O O W O W W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">283</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.56 5.79 4.49 4.15 3.92 2.86 2.53 2.48 2.19 2.10 2.06 1.89 1.76 1.66 1.66 1.61 1.52 1.49 1.45 1.33 1.27 1.23 1.22 1.21 1.04 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:x P:z P:y P:x P:x P:x P:x D:x2-y2 P:z P:z D:xz P:z D:x2-y2 P:y D:xy P:z P:x P:y D:xz P:x P:y D:xy P:z D:z2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</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 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">93 88 64 77 77 64 62 60 6 23 88 11 56 8 54 11 68 93 64 6 92 23 13 93 11 13 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W O O W O W O W O O O W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">284</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.74 4.57 4.37 4.19 4.12 3.55 3.47 3.30 2.82 2.64 2.17 2.17 2.01 1.69 1.65 1.57 1.52 1.46 1.41 1.35 1.32 1.30 1.29 1.27 1.26 1.25 1.24 1.23 1.22 1.20 1.10 1.08 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:y P:x P:z P:x D:xy P:y P:z P:x P:y D:xz P:y D:yz D:xy P:x P:z P:y D:x2-y2 P:y P:y P:z D:yz P:y P:x P:z P:z P:z P:y D:yz P:x P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">64 23 93 93 13 23 54 54 88 8 91 12 7 64 61 61 8 92 69 77 8 77 82 92 23 62 60 7 49 96 56 96 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O W O O O O W O W W O O O W O O O W O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.513</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">285</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.18 6.09 5.90 4.60 4.45 3.01 2.39 2.38 2.15 2.01 1.67 1.37 1.33 1.31 1.31 1.27 1.24 1.23 1.21 1.14 1.11 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:z P:x P:y P:x P:z P:y P:z P:y P:x P:x P:x P:x P:y P:x D:z2 P:x P:z P:z P:x D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">54 87 23 78 54 86 93 23 65 38 73 57 89 74 63 12 64 69 64 86 7 23</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 W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.491</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">286</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.76 7.87 4.29 3.64 3.00 2.90 2.49 2.23 1.91 1.91 1.89 1.85 1.71 1.65 1.63 1.48 1.42 1.35 1.32 1.24 1.20 1.19 1.18 1.18 1.17 1.16 1.08 1.07</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:z P:x P:x P:x P:y P:z P:z P:x D:xz P:y P:x P:z P:z P:z P:y P:x D:xy P:x P:x P:x P:x P:x D:xz P:z P:y D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">65 86 90 64 59 78 87 23 97 9 54 93 57 68 63 81 66 14 89 82 23 74 57 10 65 49 13 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O W O O O O O O O W O O O O O W O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">287</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.09 5.06 3.92 3.72 3.66 3.31 3.15 2.94 2.89 2.61 2.52 2.44 2.16 1.99 1.91 1.67 1.64 1.64 1.58 1.55 1.37 1.20 1.18 1.14 1.13 1.08 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:x P:y P:z P:z P:x P:z P:x P:y P:x P:z P:y P:y P:y P:z P:x P:z P:z P:y S P:y P:z P:x P:y P:z P:x D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</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 2.00 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">98 46 39 85 53 21 48 85 30 46 39 45 94 84 45 43 98 43 100 47 48 42 53 47 75 100 85</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 Tc 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">-8.445</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">288</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">2.68 2.41 2.19 2.09 1.95 1.94 1.76 1.75 1.74 1.74 1.74 1.72 1.69 1.60 1.52 1.47 1.36 1.34 1.27 1.26 1.26 1.25 1.24 1.22 1.20 1.16 1.09 1.07 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 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:z P:y P:y P:y P:z P:x P:z P:z P:x P:y P:z P:x P:x P:x P:z P:z D:z2 P:x D:xy P:x P:x P:z P:z P:y P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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="30">27 52 31 84 28 30 90 51 22 53 64 93 27 33 32 93 43 87 18 23 3 57 50 92 86 85 61 54 64 78</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 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">-8.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">289</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">2.83 2.47 2.36 2.20 2.18 2.11 1.93 1.91 1.85 1.79 1.59 1.54 1.50 1.48 1.46 1.44 1.40 1.39 1.36 1.36 1.31 1.22 1.19 1.12 1.12 1.06 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">P:y P:x P:z P:y P:x P:y P:z P:z P:y P:z P:x P:x P:y P:z D:x2-y2 P:y P:x P:x P:y P:x D:xy P:x P:z P:z P:z P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">93 64 90 27 93 30 53 64 84 92 57 23 61 27 13 52 43 54 28 46 3 90 87 31 43 22 8 63</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 O O O O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.76 6.60 6.46 5.92 2.01 1.98 1.87 1.71 1.65 1.62 1.54 1.42 1.38 1.38 1.32 1.17 1.16 1.16 1.10 1.07 1.07 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">P:x P:x P:x P:x P:z P:y P:y D:xy P:z D:x2-y2 D:yz P:x D:z2 P:y P:x P:y D:x2-y2 P:z P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 1.33 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="23">43 85 46 84 30 30 53 1 28 18 17 33 17 95 53 84 2 52 31 51 53 50 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W O W 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">-8.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">291</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.77 4.46 4.24 3.70 3.59 3.20 3.01 2.80 2.72 2.38 2.18 2.10 1.96 1.92 1.87 1.74 1.73 1.57 1.49 1.46 1.41 1.37 1.34 1.27 1.22 1.15 -1.12 1.10 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 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:z P:y P:x P:z P:z P:x P:x P:x P:x P:y P:z P:z P:y S P:z P:x P:z P:x P:x P:x P:x P:z D:xz P:x S P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 0.790 -9.089 -9.089</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 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">59 90 56 78 64 59 87 89 82 93 49 74 86 90 69 103 68 38 82 23 63 57 74 89 102 70 103 65 93</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 Tc O O O O O 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">-8.350</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">292</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.27 5.75 5.05 4.49 4.38 3.85 3.80 3.40 2.84 2.53 2.31 2.19 2.04 2.04 1.99 1.87 1.55 1.35 1.21 1.20 1.13 1.11 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 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:y P:y P:x P:z P:z P:z P:y D:z2 P:y D:yz P:z P:z D:yz P:x D:yz P:y P:x D:yz P:z D:z2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</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 1.00 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">41 79 84 21 84 47 43 85 41 100 43 4 46 79 20 79 5 39 46 19 21 16 46 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O Tc O W O O W O W O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">293</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.53 6.26 5.53 4.93 4.80 3.64 3.55 3.33 2.91 2.87 2.67 2.21 1.76 1.74 1.70 1.42 1.33 1.27 1.08 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:y P:z P:y P:x P:y D:yz P:y P:z P:z D:yz D:z2 P:x P:x P:y D:z2 P:x D:z2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.00 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="20">47 21 46 41 84 84 20 85 79 43 5 100 30 47 27 1 46 16 85 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O O O W Tc 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">-8.321</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">294</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.39 5.42 3.68 3.58 3.53 3.19 2.95 2.89 2.77 2.69 2.61 2.40 2.31 2.22 1.95 1.56 1.34 1.33 1.33 1.31 1.25 1.21 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:x P:x P:x P:y P:y P:y P:x P:x P:y P:z P:x D:yz P:y P:y P:z P:y P:y P:x P:y D:xy P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 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="23">43 37 53 85 47 43 30 84 21 21 21 100 39 84 27 40 35 47 24 101 94 85 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O Tc 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">-8.271</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">295</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.92 5.01 4.49 4.08 3.80 3.56 3.19 2.84 2.83 2.77 2.13 2.06 2.03 1.87 1.73 1.68 1.56 1.54 1.49 1.35 1.30 1.27 1.26 1.20 1.18 1.15 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:z P:y P:x P:y P:y P:z P:x P:y P:y P:x P:x P:z P:z P:z P:x P:z P:y P:z S P:y P:y P:y S P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089</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 2.00 1.33 1.33 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">71 72 80 76 23 88 78 77 54 69 77 87 73 56 86 93 57 87 65 68 102 86 81 54 103 65 89</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 Tc O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">296</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.50 5.01 4.29 4.21 3.41 2.71 2.69 2.67 2.48 2.19 2.16 2.09 2.06 2.06 1.73 1.65 1.34 1.33 1.31 1.28 1.26 1.26 1.21 1.12 1.08 1.03 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:z P:y P:x P:z P:z P:z P:x P:y P:y P:z P:z P:z P:y P:y P:y P:y D:x2-y2 P:y P:z P:x D:yz D:yz P:z D:yz P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 10.371 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.00 0.00 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">21 79 37 48 79 41 36 45 41 37 53 85 47 46 48 83 100 43 75 44 100 106 42 101 30 47 47</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 Tc O O O Tc P O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.235</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">297</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.79 9.71 8.13 7.29 5.96 5.39 4.39 3.93 3.35 3.10 2.64 2.45 2.31 2.29 1.86 1.85 1.71 1.59 1.43 1.41 1.34 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:z P:y P:z P:y P:z P:y D:yz D:yz P:z D:z2 D:yz D:z2 D:z2 P:y P:y P:z P:z P:y P:z P:y D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">78 87 88 86 65 77 10 15 77 6 14 11 9 65 58 86 97 66 58 88 9 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W W 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">-8.229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">298</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.68 6.04 4.19 3.02 3.02 2.88 2.88 2.88 2.77 2.54 2.50 2.46 2.43 2.10 2.06 2.02 1.89 1.89 1.83 1.73 1.57 1.46 1.45 1.41 1.39 1.37 1.35 1.13 1.11 1.07 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:y P:z P:y P:z P:x P:z P:x P:z P:y P:x P:x P:z P:y P:x P:x P:y P:x P:x P:y P:y P:x P:x P:z P:x P:z P:z P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">47 21 25 51 22 25 53 33 50 30 31 41 32 28 48 36 52 45 37 79 85 46 28 84 36 45 39 37 39 43 79</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">-8.218</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">299</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.25 3.65 3.41 2.78 2.48 2.46 2.36 2.34 2.31 1.98 1.91 1.83 1.52 1.51 1.51 1.42 1.34 1.22 1.20 1.20 1.19 1.16 1.06 1.05 1.04 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:x P:x P:x P:y P:x P:z P:y P:x P:y P:x P:z P:x P:z P:x P:x P:z P:x P:z D:xy P:z P:y P:z P:x D:xz D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</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 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">88 77 67 99 99 91 96 54 58 97 58 93 67 66 64 92 23 87 10 86 61 56 63 15 9 65</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 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">-8.191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">300</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.52 6.71 6.27 5.65 5.31 5.26 5.19 3.18 2.53 2.29 2.21 2.07 1.79 1.78 1.75 1.65 1.47 1.45 1.43 1.32 1.22 1.17 1.16 1.06 1.03 1.03 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:z P:x P:x P:z D:xy P:x D:xy P:y D:yz D:x2-y2 P:z P:y D:xy D:x2-y2 P:y P:z D:xz D:x2-y2 D:yz D:xz D:xz P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">23 64 88 93 77 54 54 13 23 7 93 12 12 64 60 11 7 77 60 8 8 7 6 11 61 12 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O W O W O W W O O W W O 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">-8.188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">301</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.81 5.33 4.40 4.24 4.07 3.24 3.21 3.11 3.04 2.34 2.12 2.02 1.92 1.73 1.66 1.65 1.48 1.38 1.27 1.10 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">P:y P:y P:x P:z P:z P:y P:x P:x P:y P:z P:x P:y P:y P:y P:y P:y P:x P:z P:y P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">47 30 22 21 53 37 28 31 29 29 52 27 45 46 21 53 45 27 95 48 35 28 30</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">-8.138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">302</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.00 3.70 3.58 2.63 2.33 2.25 2.20 2.11 1.93 1.89 1.74 1.59 1.47 1.47 1.38 1.35 1.23 1.21 1.19 1.18 1.15 1.13 1.13 1.10 1.06 1.05 1.05 1.04 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 P:z P:x P:y P:z D:yz P:y P:x P:y 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:x P:x P:y P:z D:x2-y2 P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">100 73 36 73 27 101 55 80 26 24 48 87 37 93 25 65 23 75 29 41 85 64 76 54 88 100 45 86 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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 Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">303</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.25 6.35 6.32 4.56 4.08 3.74 3.01 2.91 2.71 2.10 1.98 1.66 1.55 1.51 1.22 1.10 1.07 1.07 1.06 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:y P:y P:y P:y P:y P:z P:z P:z P:x P:y P:z P:z P:z D:xy P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">51 33 32 50 25 44 36 40 25 36 50 42 87 48 79 20 85 78 35 22</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 W 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">304</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">10.81 8.91 3.73 3.61 3.30 2.72 2.50 2.25 2.16 2.06 2.01 1.73 1.66 1.40 1.37 1.10 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">P:z P:y P:x P:y P:z P:y P:x P:x P:x P:z P:y P:x P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">87 78 64 71 71 58 93 80 76 58 93 78 87 99 67 80 93</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">-8.111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">305</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.88 3.24 3.00 2.97 2.47 2.33 2.20 2.13 2.04 1.85 1.84 1.77 1.71 1.69 1.68 1.56 1.55 1.51 1.38 1.32 1.28 1.24 1.19 1.15 1.12 1.06 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">P:z P:y P:y P:x P:z P:z P:z P:x P:x P:y P:y P:x P:y P:z P:x P:y P:x P:y P:x P:z P:x P:z P:z P:y D:yz P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">73 78 73 38 86 48 23 37 76 45 71 64 77 41 86 54 65 87 80 85 36 88 87 46 100 76 78 54</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 Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.082</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">306</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.01 5.38 4.07 3.52 3.37 3.31 3.21 3.17 3.15 2.89 2.88 2.77 2.62 2.45 2.21 2.10 1.90 1.80 1.68 1.47 1.43 1.30 1.29 1.19 1.14 1.07 1.04 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">P:x P:x P:y P:y P:z P:x P:y P:z P:x P:x P:x P:z P:z P:y P:y P:z P:x P:x P:y P:y P:z P:y P:y P:z P:y P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">64 93 76 88 80 23 65 86 80 76 54 77 65 86 93 87 73 77 63 80 49 64 78 64 81 54 76 88 69</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">-8.061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">307</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.52 4.72 4.08 3.70 3.63 3.53 3.42 3.12 2.97 2.56 2.29 2.28 2.06 1.84 1.74 1.70 1.65 1.57 1.50 1.47 1.44 1.42 1.23 1.18 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:y P:x P:z P:y P:z P:z P:y P:y P:y 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:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">54 23 54 23 23 86 73 65 60 73 97 60 76 67 82 66 74 80 77 80 92 88 99 91 96 99</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">-8.019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">308</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">12.11 4.54 4.28 3.75 3.54 2.75 2.54 2.48 2.37 2.22 2.22 2.10 1.90 1.88 1.75 1.74 1.71 1.36 1.33 1.30 1.24 1.19 1.17 1.10 1.05 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:x P:z P:x P:x P:x P:x P:x P:y D:xy P:x P:x P:z P:x P:y P:x P:x P:x P:z P:x P:y P:y P:z P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="27">98 98 79 45 83 48 30 94 100 39 41 46 42 75 53 85 40 79 46 35 45 26 75 84 83 40 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">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">-8.008</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.83 4.00 3.93 3.67 3.36 3.09 3.04 2.42 2.40 2.27 1.97 1.93 1.87 1.83 1.75 1.73 1.72 1.67 1.53 1.53 1.43 1.42 1.38 1.36 1.31 1.24 1.09 1.06 1.05 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:y P:y P:y P:z P:y P:z P:z P:y P:z P:y P:y P:y P:y P:x P:y P:y P:z P:z P:z P:z P:x P:y P:z P:y P:y P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">97 88 86 66 67 70 77 70 99 65 64 58 65 80 65 76 54 86 93 58 76 92 73 54 23 82 23 73 61 78</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">-7.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">310</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.21 7.07 5.80 3.42 3.15 3.12 3.00 2.89 2.64 2.60 2.56 2.50 2.46 2.22 2.08 2.02 1.95 1.95 1.91 1.31 1.30 1.30 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:z D:z2 P:x P:z P:x P:z P:y P:z P:x P:x D:xy P:z P:x P:y P:y P:z P:z P:z P:z P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">98 84 100 41 39 44 34 45 45 42 55 100 95 48 85 46 26 46 48 85 98 48 41 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O Tc 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">-7.931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">311</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.81 3.70 3.43 3.28 3.20 2.73 2.71 2.63 2.41 2.40 2.38 2.23 2.17 2.08 2.07 2.05 2.05 2.00 1.91 1.79 1.77 1.68 1.64 1.57 1.49 1.49 1.46 1.29 1.20 1.19 1.13 1.13 1.11 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:y P:z P:z P:y P:z P:y P:y P:z P:x P:z P:x P:z P:y P:x P:z P:y P:z P:y P:y P:y P:x P:z P:x P:x P:y P:x P:x P:x P:y P:z P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">29 33 50 32 51 25 31 40 36 34 42 27 44 83 94 52 22 35 24 25 28 26 22 28 35 75 95 75 30 36 26 55 51 55 52</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">-7.895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">312</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.07 7.46 5.30 5.22 4.48 3.68 3.51 3.12 2.94 2.80 2.56 2.50 2.27 2.11 1.92 1.61 1.49 1.46 1.33 1.10 1.03 1.03 1.03 1.00</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:z P:y P:z P:y P:z P:z P:y P:x P:z P:z P:y P:y D:xy P:z P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">92 91 61 96 60 62 60 56 62 61 96 74 82 69 69 97 68 66 10 67 61 91 93 81</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 W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">313</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.81 5.65 4.25 4.11 3.86 3.56 3.30 2.61 2.60 2.32 2.04 1.75 1.71 1.51 1.50 1.47 1.46 1.37 1.34 1.29 1.24 1.21 1.17 1.16 1.15 1.10 1.10 1.09 1.09 1.04 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:y P:x P:y P:x P:x P:y P:y P:y P:x P:z P:y P:x P:x P:y P:y P:z P:z D:z2 P:x P:z P:z P:z D:xz P:x P:x P:x P:z D:z2 P:y D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681</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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">35 40 94 98 24 83 44 95 51 35 52 50 75 34 40 98 28 2 22 22 24 75 19 45 32 35 83 18 24 20 100</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 O O O W O O O O W O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.838</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">314</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.00 7.65 4.35 4.08 3.71 3.25 2.76 2.61 2.40 2.37 2.17 2.06 1.98 1.73 1.66 1.63 1.61 1.61 1.43 1.41 1.38 1.30 1.16 1.16 1.08 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">P:x P:z P:x D:z2 P:z P:z P:z P:x P:x P:x P:y P:x P:z P:x P:x D:yz P:x P:x P:x P:x P:x P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.00 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="26">98 95 44 100 42 34 55 48 26 25 35 95 40 33 32 100 42 41 55 39 79 94 28 31 35 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O Tc O O O O O O O O O O O Tc 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">-7.820</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">315</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">21.49 5.27 2.96 2.94 2.52 1.99 1.83 1.61 1.50 1.49 1.45 1.37 1.36 1.34 1.30 1.20 1.20 1.16 1.13 1.02 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:x P:x P:x P:z P:y D:yz P:y P:z P:x P:x P:x P:z P:y P:x P:x P:x P:x D:xz P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 1.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">72 78 87 72 69 102 38 57 54 74 23 90 82 71 38 63 58 102 74 56 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O Tc O O O O O O O O O O O Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">316</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">5.40 5.18 4.00 3.72 2.49 2.29 2.00 1.86 1.82 1.58 1.56 1.46 1.39 1.37 1.17 1.09 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:x D:xy P:x P:y P:x P:z D:x2-y2 P:x D:yz P:x P:z D:x2-y2 P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 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="17">38 47 101 72 53 38 94 101 21 101 40 30 103 94 72 98 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O Tc O O O O Tc 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">-7.754</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">317</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.59 4.19 3.02 3.00 2.97 2.65 2.54 2.53 2.47 2.46 2.41 2.41 2.23 2.03 1.96 1.67 1.65 1.59 1.51 1.36 1.25 1.24 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:x P:y P:x P:x P:z D:z2 D:xz P:z P:x P:x P:x P:y P:x D:z2 P:y P:x P:z P:x P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 1.00 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="23">38 21 34 75 83 94 101 101 30 44 34 26 38 42 103 35 41 83 38 45 55 42 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O Tc Tc 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">-7.721</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">318</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.01 3.66 3.54 3.44 2.99 2.90 2.73 2.27 2.26 2.08 2.06 1.97 1.75 1.72 1.57 1.50 1.47 1.37 1.35 1.34 1.33 1.28 1.24 1.16 1.15 1.09 1.08 1.08 1.07 1.05 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:y P:x P:y P:y P:z P:x P:x P:z P:x P:x P:y P:z P:y P:y P:z P:x P:y P:z P:x P:y P:x P:x P:z P:y P:x P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">66 67 72 97 91 99 81 61 96 56 62 92 70 63 70 58 90 58 89 60 60 68 96 86 61 57 78 72 23 92 49</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">-7.707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">319</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.01 3.91 3.57 3.46 3.25 2.78 2.42 2.40 2.15 2.09 2.05 1.94 1.78 1.77 1.50 1.42 1.40 1.38 1.29 1.26 1.20 1.17 1.13 1.08 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:y P:x P:z P:x P:z P:x P:z P:z P:x D:z2 P:x P:z P:y P:x P:z D:xy P:z D:z2 P:z P:y P:y D:xz P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681</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 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">34 83 38 42 94 26 26 95 75 101 50 31 38 33 34 101 44 100 75 40 35 101 42 34 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O Tc O O O O O Tc O Tc O O O Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.704</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="20">7.43 6.61 5.93 5.89 3.76 2.94 2.35 2.18 2.16 2.07 1.92 1.90 1.62 1.55 1.46 1.28 1.17 1.16 1.11 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:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:x P:z P:z P:x P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">56 68 82 59 49 89 66 49 72 61 80 89 70 77 74 87 81 64 69 58</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">-7.660</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="24">5.41 5.36 5.23 4.49 4.03 3.90 3.23 3.01 2.88 1.96 1.90 1.89 1.89 1.70 1.62 1.58 1.52 1.47 1.24 1.21 1.18 1.15 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:y P:x P:x P:y P:y P:y P:z P:x P:x P:z P:x P:y P:z P:y P:y P:y D:z2 P:z P:x P:x P:x P:x D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">81 74 72 69 56 74 69 97 57 63 90 63 57 82 92 73 12 90 54 82 80 66 8 92</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 W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.650</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="26">4.95 2.44 2.29 2.26 1.76 1.66 1.64 1.62 1.58 1.49 1.43 1.41 1.41 1.37 1.34 1.33 1.29 1.27 1.21 1.20 1.18 1.13 1.09 1.07 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 D:x2-y2 P:z P:x P:y P:x D:yz P:y P:y P:x P:z P:z P:y P:y P:z P:y P:z D:x2-y2 P:y P:y P:x P:x P:y P:y P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.00 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="26">38 103 35 43 68 37 102 89 63 70 28 52 59 43 24 90 31 100 76 44 48 98 83 85 43 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O Tc O O O O Tc O O O O O O O O O O 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">-7.634</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="28">3.10 2.85 2.81 2.79 2.64 2.44 2.36 2.33 2.25 2.19 2.04 1.98 1.91 1.90 1.79 1.77 1.75 1.54 1.48 1.43 1.32 1.26 1.24 1.23 1.22 1.17 1.09 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:y P:z P:z D:yz D:yz P:x P:x P:z P:x P:z P:y P:x P:z P:y P:y P:y P:y P:y P:y P:y P:z P:x P:x P:z D:xy P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">89 69 57 102 103 74 82 62 60 59 82 70 81 68 56 38 59 57 62 90 90 71 62 89 102 68 63 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O Tc Tc O O O O O O 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">-7.598</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="31">5.84 4.18 4.17 3.99 3.00 2.91 2.84 2.76 2.66 2.54 2.30 2.16 2.11 1.97 1.85 1.74 1.59 1.56 1.48 1.39 1.33 1.32 1.31 1.30 1.28 1.24 1.17 1.13 1.09 1.06 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">P:y D:xz P:z P:y P:z P:y D:xz P:z P:z P:y D:xy P:y P:x D:xy P:z D:xy P:y D:xy P:y P:y P:z P:y P:x P:z D:z2 P:z P:z P:x P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">55 1 40 26 24 44 16 83 94 42 16 34 33 4 75 20 35 1 83 94 95 22 51 22 2 31 35 50 24 95 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W O O O O W O O O W O O W O W O W O O O O O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.542</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="22">10.36 5.10 4.85 4.02 3.47 3.31 2.65 2.23 2.08 1.71 1.61 1.56 1.44 1.32 1.31 1.28 1.16 1.13 1.09 1.08 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:yz P:x P:x P:z D:x2-y2 P:y D:yz D:xy P:y P:z D:xy P:x D:xy P:z P:z D:z2 P:x P:x P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.33 1.33 1.33 1.00 1.33 1.00 1.00 1.33 1.33 1.00 1.33 0.80 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="22">101 36 25 29 100 34 100 101 29 28 100 35 20 52 94 18 22 40 27 29 83 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc O O O Tc O Tc Tc O O Tc O W 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">-7.530</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="22">3.30 2.92 2.53 2.22 2.21 2.16 2.08 2.01 1.97 1.79 1.74 1.70 1.53 1.48 1.46 1.43 1.38 1.14 1.13 1.08 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:z P:y D:yz P:x P:x P:y P:y P:x P:x P:z D:z2 D:yz P:z P:z P:y P:x P:z P:z P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.00 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="22">80 76 101 33 32 44 45 50 34 82 103 100 49 38 42 24 29 30 51 98 23 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc O O O O O O O Tc Tc 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">-7.511</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="28">5.90 5.55 5.43 4.24 4.12 3.80 3.69 2.15 2.07 1.78 1.78 1.72 1.54 1.29 1.28 1.26 1.26 1.23 1.21 1.18 1.14 1.12 1.11 1.10 1.09 1.08 1.07 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:x P:z P:x P:y P:x P:y P:x P:z P:z P:y P:x P:x D:xy P:z D:z2 D:xz P:y P:x P:x P:x P:x P:z P:z D:yz P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">63 81 90 49 49 68 59 72 63 69 67 87 14 96 8 102 81 99 66 74 72 56 91 13 76 82 59 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O W O W Tc O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.484</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="26">3.11 2.96 2.77 2.45 2.21 1.91 1.85 1.82 1.72 1.71 1.63 1.59 1.53 1.44 1.42 1.40 1.35 1.35 1.26 1.20 1.20 1.17 1.15 1.14 1.05 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:z P:y P:x P:x P:x P:x D:x2-y2 P:y P:x P:x D:xy P:z P:z P:y P:z P:x P:x P:z P:x P:x P:y P:x P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">76 43 53 35 63 40 94 100 68 48 43 101 35 48 74 94 47 37 80 50 65 90 54 63 79 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O Tc O O O Tc 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">-7.428</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="23">2.05 1.85 1.66 1.63 1.61 1.52 1.46 1.43 1.38 1.35 1.27 1.21 1.18 1.17 1.17 1.15 1.15 1.15 1.08 1.06 1.05 1.03 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:z P:x P:x P:z 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:y P:x P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">35 44 97 45 69 86 21 66 56 40 49 82 40 81 32 94 67 96 25 23 82 54 65</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">-7.382</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="28">4.69 2.88 2.85 2.84 2.27 2.18 2.05 1.79 1.66 1.64 1.57 1.56 1.50 1.49 1.47 1.40 1.39 1.35 1.33 1.29 1.26 1.17 1.14 1.11 1.06 1.03 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 P:z P:x P:y P:z P:z P:z P:z P:z P:y P:x P:z P:z P:z P:z P:x P:x P:x P:x P:y P:x P:z D:z2 P:y P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">37 48 76 37 38 39 80 87 54 76 21 72 82 76 86 85 98 78 47 74 23 85 103 39 87 84 79 98</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 Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.374</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="19">9.36 7.47 3.44 3.28 3.10 3.08 2.96 2.71 2.07 1.63 1.58 1.57 1.40 1.34 1.33 1.26 1.22 1.12 1.06</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:z P:x P:z P:x P:z P:x P:x P:z P:z P:z P:z P:z P:x P:z P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">37 39 98 43 47 32 45 46 41 36 46 45 98 21 35 37 80 28 85</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">-7.337</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="30">4.40 3.36 3.32 3.30 3.26 2.94 2.34 2.33 2.11 2.00 1.99 1.97 1.95 1.84 1.78 1.71 1.61 1.61 1.57 1.53 1.50 1.47 1.43 1.39 1.31 1.25 1.16 1.12 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:y D:xz P:z P:y P:z P:y P:y D:xz P:z P:z P:y P:y D:xy P:y P:y P:z P:z D:xy P:z D:xy D:xy P:x P:z P:x P:x P:z D:z2 D:z2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 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">89 11 57 49 63 59 56 6 74 81 68 63 6 69 82 56 90 14 69 10 11 69 49 67 97 91 12 8 37 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O W O O O O O W O O O O W O O O O W O W W 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">-7.326</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="31">3.25 3.12 2.70 2.49 2.47 2.45 2.42 2.17 2.13 1.89 1.78 1.67 1.62 1.52 1.50 1.46 1.41 1.40 1.39 1.27 1.24 1.21 1.20 1.18 1.15 1.14 1.13 1.12 1.12 1.07 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 P:x P:y P:x P:y P:x P:z P:x P:x P:y P:x P:y P:y P:z P:x D:x2-y2 P:x P:z P:z P:x P:x P:z P:x P:y P:z P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="31">72 99 58 66 38 67 49 71 78 69 97 68 77 87 82 92 38 103 56 81 91 57 70 90 45 93 39 88 63 96 94</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 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">-7.311</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="22">8.84 5.56 3.43 3.20 2.72 2.49 2.01 1.97 1.96 1.80 1.79 1.74 1.66 1.61 1.55 1.51 1.48 1.40 1.21 1.13 1.13 1.05</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 P:x P:y P:y P:y P:z P:x P:x P:z P:z P:y P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 51 98 48 79 35 41 34 43 30 37 50 51 95 37 53 84 42 83 35 79 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.275</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="25">7.84 5.54 5.10 4.11 4.09 4.04 3.97 3.46 2.83 2.54 2.33 1.81 1.74 1.73 1.59 1.56 1.35 1.32 1.24 1.18 1.11 1.10 1.04 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:y P:z P:z P:y P:z P:y P:y P:y P:y P:x P:z P:x P:y P:z P:z P:z P:y P:x P:y P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">27 33 32 50 31 25 51 25 28 27 28 36 52 84 31 27 28 32 29 30 83 22 25 52 36</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">-7.243</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="25">4.80 4.38 3.40 3.04 2.26 2.24 2.23 2.04 1.91 1.90 1.84 1.61 1.51 1.48 1.48 1.48 1.46 1.44 1.42 1.39 1.35 1.30 1.19 1.09 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:y P:z P:z P:y P:x P:x P:z P:y P:y P:x P:z P:y P:y P:x P:x P:y P:x P:z P:x P:x P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">37 73 53 39 71 76 37 30 22 48 54 51 45 47 94 48 79 22 78 34 39 48 32 38 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">-7.242</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="23">5.66 5.37 3.01 2.87 2.26 1.91 1.85 1.83 1.81 1.73 1.68 1.63 1.36 1.33 1.32 1.24 1.19 1.17 1.14 1.14 1.13 1.10 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:y P:z P:x P:y P:x P:y P:y P:x P:x P:x P:z P:y P:x P:x P:z P:y P:z P:y P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">71 73 73 72 23 87 74 81 80 77 62 82 71 34 21 32 97 54 39 38 92 88 68</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">-7.220</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="28">7.46 5.04 3.80 3.37 3.22 3.13 2.92 2.88 2.79 2.66 2.57 2.49 2.31 2.16 2.10 1.98 1.61 1.55 1.34 1.31 1.29 1.16 1.14 1.13 1.08 1.07 1.04 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:y P:z P:x P:z P:z P:x P:y P:x P:z P:y P:x P:z P:x P:y P:x P:x P:x P:y P:x P:z P:z P:y P:x P:z P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">75 26 94 35 44 35 40 95 42 83 34 83 83 24 26 75 40 95 42 30 28 73 80 55 28 76 53 73</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">-7.143</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="26">7.39 4.93 4.37 3.87 3.47 3.04 2.91 2.80 2.78 2.65 2.59 2.38 2.06 1.85 1.81 1.63 1.58 1.48 1.43 1.29 1.29 1.21 1.19 1.18 1.17 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">P:x P:z P:z P:y P:x P:x P:y P:z P:x P:y P:z P:y P:z P:x P:z P:x P:x P:y P:z P:y P:y P:z P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">34 32 44 22 94 95 51 26 28 40 42 83 28 98 83 29 26 24 55 75 52 30 33 31 53 27</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">-7.119</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="27">5.85 3.51 3.51 3.35 3.24 3.14 2.86 2.72 2.71 2.27 2.05 2.05 1.89 1.80 1.61 1.37 1.33 1.31 1.23 1.16 1.15 1.10 1.08 1.06 1.05 1.04 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:y P:x P:z P:z P:y P:z P:x P:z P:y P:y P:x P:x P:z P:y P:y P:y P:z P:x P:z P:y P:y P:x P:z D:z2 P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">73 80 72 82 67 66 68 71 91 61 65 86 58 38 64 63 49 74 44 54 58 61 86 102 62 73 89</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 Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.109</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">5.34 4.18 3.53 3.39 3.31 2.70 2.52 2.41 2.33 2.27 2.09 2.08 1.80 1.78 1.70 1.64 1.36 1.34 1.33 1.32 1.29 1.23 1.19 1.18 1.16 1.13 1.12 1.08 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:y P:x P:z P:x P:z P:y P:y P:z P:z P:z P:x P:y P:y P:z P:x P:x P:y P:z P:y D:z2 P:y P:z P:z P:x P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="30">73 97 65 99 76 58 91 76 38 72 71 61 73 58 44 86 60 61 78 38 103 60 80 88 62 92 64 82 57 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 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">-7.093</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="37">3.75 3.10 3.10 3.10 2.94 2.86 2.84 2.68 2.65 2.49 2.42 2.19 2.15 2.09 2.07 2.04 1.90 1.77 1.77 1.74 1.73 1.72 1.72 1.71 1.64 1.56 1.50 1.47 1.40 1.39 1.23 1.22 1.19 1.09 1.09 1.09 1.04</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:x P:y P:z P:x P:x 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:y P:z P:x P:z P:z P:y P:z P:x P:y P:z P:x P:z P:y P:y P:z P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">95 22 28 25 45 40 30 52 98 94 48 50 33 34 32 47 39 51 42 79 44 29 53 48 36 31 27 21 45 29 83 84 26 53 37 31 27</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">-7.044</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">5.40 4.79 3.21 2.81 2.80 2.75 2.65 2.60 2.49 2.44 2.39 2.38 2.34 2.09 1.93 1.70 1.68 1.29 1.22 1.20 1.20 1.11 1.10 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:z P:z P:z P:y P:z P:x P:z P:y P:y P:z P:y P:x P:z P:y P:z P:y P:z P:x P:z D:z2 P:x P:y D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089</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 1.00 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">66 72 82 67 96 68 92 58 97 71 71 60 58 92 64 64 99 27 93 102 92 70 102 56 96</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 Tc O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.040</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">7.14 4.13 3.58 3.36 2.94 2.69 2.20 2.09 1.95 1.92 1.90 1.80 1.78 1.72 1.55 1.39 1.32 1.31 1.27 1.24 1.17 1.05 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:x P:z P:y P:y P:z P:x P:x P:y P:y P:y P:y P:z P:y P:z P:z P:x P:x P:x P:z P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 25 84 25 43 29 36 28 21 27 55 24 75 22 47 33 39 48 26 95 45 43 36</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">-7.001</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">3.59 3.50 2.50 2.37 2.29 2.18 2.10 2.09 2.07 1.90 1.90 1.83 1.82 1.57 1.56 1.56 1.46 1.43 1.40 1.37 1.29 1.27 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:y P:z P:y P:y P:x P:z P:z P:z P:z P:y P:z P:x P:y P:x P:z P:y P:x P:x P:z P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">81 90 49 51 45 68 59 48 63 32 97 66 59 63 95 79 83 83 90 82 34 56 92 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">-6.981</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="23">3.61 3.55 3.31 3.05 2.99 2.83 2.52 2.24 2.20 2.05 1.89 1.88 1.80 1.72 1.45 1.39 1.34 1.34 1.32 1.29 1.29 1.11 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:y P:x P:y P:y P:z P:z P:z P:x P:z P:y P:z P:z P:y P:x P:y P:x P:y P:x P:z P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">90 81 45 51 48 30 32 56 59 34 94 79 53 68 46 59 42 83 85 82 83 69 48</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">-6.959</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="32">7.06 5.56 4.53 3.56 3.35 3.31 2.72 2.68 2.49 2.43 2.40 2.38 2.23 2.13 2.13 2.11 1.95 1.76 1.62 1.39 1.39 1.36 1.35 1.34 1.30 1.30 1.29 1.27 1.09 1.07 1.04 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:y P:y P:x P:x P:z P:x P:x P:x P:x P:x P:z P:y P:z P:z P:x P:z D:yz P:z P:z P:y P:z D:xy P:y P:x P:y P:z P:z P:z D:yz P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">74 97 67 99 96 74 69 66 92 72 61 71 66 82 78 92 103 99 91 66 65 102 49 91 57 81 97 63 102 56 68 56</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 Tc O O O O Tc 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">-6.953</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="32">7.42 4.67 3.71 3.71 3.46 3.23 2.88 2.27 2.25 2.23 1.90 1.89 1.89 1.80 1.79 1.74 1.69 1.57 1.49 1.40 1.38 1.29 1.28 1.27 1.25 1.17 1.14 1.13 1.13 1.08 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">P:y P:y P:z P:y P:z P:z D:yz P:x P:y P:z P:x P:z P:x P:y P:x P:x P:x P:y P:x P:z P:y P:z P:x P:x P:x P:y P:x P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">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 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">92 63 61 74 69 74 102 69 57 93 62 49 97 56 72 96 70 68 99 66 97 91 63 66 56 96 90 86 71 67 71 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">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 O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.902</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="38">4.40 4.12 3.96 3.96 3.81 3.17 3.14 3.02 2.69 2.58 2.55 2.33 2.20 2.19 2.04 2.02 1.97 1.95 1.87 1.81 1.78 1.68 1.65 1.57 1.56 1.46 1.41 1.34 1.33 1.28 1.22 1.16 1.15 1.11 1.10 1.06 1.04 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">P:y P:x P:z P:y P:x P:y P:z P:z P:x P:x P:y P:y P:y P:x P:y P:y 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 P:y P:y P:x P:y P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="38">31 43 46 85 52 52 31 84 34 94 95 24 43 84 45 33 79 50 48 35 55 85 32 30 52 51 41 31 46 46 53 51 39 40 22 44 21 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O O O 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">-6.889</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="32">7.78 6.74 5.12 4.38 3.13 2.91 2.76 2.71 2.45 2.30 2.18 2.17 1.94 1.85 1.71 1.64 1.62 1.62 1.58 1.57 1.49 1.44 1.38 1.37 1.35 1.33 1.22 1.20 1.20 1.13 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:x P:x P:z P:x P:z P:x P:y P:x P:z P:y P:z P:y P:y P:y P:y P:y D:xy P:z P:x P:z P:x P:x P:x P:y P:y P:z P:y P:x P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="32">81 68 59 61 82 60 71 59 91 91 49 93 68 90 73 64 102 61 56 58 80 70 74 96 89 64 81 97 74 80 87 76</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 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">-6.875</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="33">6.45 4.82 4.52 3.75 3.53 3.41 2.92 2.78 2.78 2.57 2.54 2.46 2.45 2.36 2.36 2.24 2.23 2.00 1.92 1.89 1.69 1.49 1.49 1.48 1.44 1.39 1.38 1.25 1.18 1.18 1.11 1.08 1.07</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 P:x P:z P:z P:z P:y P:z P:z P:x P:x P:z P:y P:y P:x P:y P:y P:y P:x P:y P:x P:z P:y P:x P:z P:y P:y P:z P:x P:y P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">85 46 22 50 94 28 30 44 40 21 47 40 21 28 53 34 33 34 44 53 79 51 47 32 84 22 83 95 85 30 52 44 35</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">-6.865</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="28">4.91 4.07 3.92 3.69 3.42 3.31 3.18 2.95 2.68 2.59 2.56 2.56 2.20 2.20 2.14 2.13 1.98 1.89 1.88 1.85 1.80 1.68 1.39 1.38 1.34 1.26 1.23 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">P:y P:y P:x P:x P:y P:z P:x P:z P:y P:z P:z P:x P:y P:y P:x P:x P:z P:x P:y P:z P:y P:x P:z P:x P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">33 31 46 36 85 46 29 50 29 52 29 41 46 53 79 85 85 53 51 30 36 52 83 50 42 36 25 32</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">-6.847</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="29">7.50 5.51 3.99 3.83 3.78 2.98 2.93 2.70 2.53 2.44 2.32 2.32 2.19 2.03 2.00 1.85 1.75 1.61 1.49 1.46 1.43 1.39 1.38 1.36 1.31 1.30 1.24 1.23 1.12</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:y P:x P:y P:y P:z P:x P:x P:x P:z P:x P:x P:x P:x P:y P:y P:z P:y P:x P:z P:x P:z D:yz P:x P:x D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089</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 1.00 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">70 56 63 74 78 49 60 60 86 58 80 74 61 73 76 88 61 67 62 62 69 49 65 23 103 72 54 102 89</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 Tc O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.819</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="31">6.32 3.99 3.86 3.76 3.39 3.14 3.05 2.68 2.40 2.34 2.31 2.15 1.98 1.74 1.73 1.68 1.66 1.66 1.62 1.55 1.49 1.44 1.41 1.40 1.34 1.29 1.27 1.04 1.02 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:z P:z P:y P:z P:x P:x P:x P:x P:z 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:z P:x P:y P:x P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">60 66 54 58 80 68 58 69 81 76 64 57 63 23 77 58 81 78 71 62 88 93 70 99 62 70 63 61 82 90 90</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">-6.801</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="23">12.43 7.29 6.86 5.58 5.49 3.16 2.81 2.47 2.33 2.27 1.79 1.75 1.68 1.67 1.64 1.47 1.43 1.41 1.24 1.22 1.19 1.14 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:z P:z P:x P:y P:z P:x P:x P:y P:z P:y P:y P:z P:y P:z P:y P:x P:z P:y P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">41 36 79 25 36 32 43 79 24 47 43 21 55 25 84 51 84 27 27 35 31 75 79</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">-6.786</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="15">20.30 14.72 9.59 3.79 2.09 1.91 1.74 1.73 1.50 1.40 1.38 1.23 1.18 1.15 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:y P:z P:x P:y P:y P:y P:x P:x P:z P:z P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">29 30 53 53 53 29 41 46 28 27 79 85 36 27 30</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">-6.769</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="32">6.47 5.08 4.44 3.74 3.27 3.20 2.94 2.92 2.64 2.55 2.54 2.44 2.30 1.99 1.90 1.73 1.59 1.56 1.53 1.36 1.33 1.30 1.24 1.20 1.17 1.13 1.07 1.07 1.06 1.05 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">P:x P:y P:y P:y P:x P:y P:z P:z P:z P:x P:x P:y P:y P:z P:x P:z D:xy P:x P:y P:y P:x P:z P:z P:z P:y P:x P:y P:y P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="32">81 97 76 93 56 87 49 66 80 80 72 23 86 81 86 69 102 78 81 89 93 99 72 65 38 69 49 68 89 63 67 60</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 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">-6.730</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="20">10.14 9.75 7.72 5.73 5.57 4.40 4.39 3.85 3.31 3.29 2.86 2.51 2.48 2.39 2.03 2.00 1.58 1.34 1.33 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">P:z P:y P:y P:x P:z P:y P:z P:y P:y P:x P:x P:z P:y P:z P:z P:x P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">47 21 84 27 43 31 25 33 25 43 46 50 52 31 52 85 52 43 51 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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.719</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="26">6.31 6.14 5.51 4.55 4.36 4.19 3.77 3.40 3.35 2.97 2.96 2.91 2.74 2.42 2.26 2.20 1.95 1.55 1.45 1.44 1.40 1.24 1.20 1.15 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">P:y P:z P:y P:x P:x P:z P:z P:y P:x P:z P:y P:y P:x P:z P:y P:y P:z P:y P:y P:z P:z P:y P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">67 99 77 88 77 88 78 88 96 91 91 87 54 77 96 68 81 82 49 96 23 23 23 91 74 56</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">-6.713</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="27">9.32 8.62 7.59 6.01 5.02 4.48 4.16 4.08 3.60 2.76 2.61 1.95 1.78 1.72 1.64 1.57 1.50 1.47 1.34 1.30 1.23 1.12 1.12 1.12 1.05 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:y P:x P:x P:y P:z P:y P:z P:z P:z P:x P:x P:x P:y P:y P:y P:y P:z P:y P:z P:x P:y P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">50 33 85 46 21 85 31 46 47 52 52 45 48 22 52 85 51 84 84 48 43 46 28 50 43 32 53</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">-6.689</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="32">4.82 4.79 4.70 4.69 4.67 4.40 3.83 2.68 2.44 2.26 2.18 2.10 2.06 1.95 1.93 1.90 1.82 1.57 1.52 1.45 1.40 1.34 1.34 1.30 1.27 1.23 1.17 1.16 1.14 1.13 1.10 1.08</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:z P:z P:y P:x P:y P:z P:y P:x P:z P:y P:y P:x P:z P:z P:y P:z P:x P:x P:x P:z P:z P:x P:z P:y P:z P:x P:x P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">81 65 92 93 93 97 66 92 77 81 61 56 61 69 72 86 64 88 68 23 80 77 74 82 63 61 97 86 23 92 49 82</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">-6.664</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="24">5.90 4.58 4.32 4.25 3.40 2.76 2.61 2.47 2.37 2.32 1.91 1.81 1.81 1.79 1.74 1.72 1.62 1.52 1.46 1.41 1.25 1.18 1.16 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:z P:x P:x P:y P:x P:y P:z P:z P:y P:z P:y P:x P:x P:x P:z P:y P:y P:x P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">91 96 77 88 67 86 77 99 62 62 65 70 96 65 70 88 88 92 29 70 63 64 78 54</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">-6.657</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="33">5.93 4.63 3.92 3.00 2.97 2.97 2.96 2.94 2.84 2.53 2.43 2.28 2.17 2.09 1.91 1.90 1.89 1.88 1.88 1.86 1.85 1.82 1.74 1.53 1.53 1.29 1.19 1.19 1.12 1.11 1.07 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">P:z P:z P:x P:x P:x P:z P:y P:x P:y P:x P:z P:x P:z P:z P:y P:x P:z P:z P:x P:x P:x P:z P:x P:z P:x P:y P:y P:x P:y P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">50 36 29 85 27 39 33 45 36 37 85 46 46 45 28 33 98 32 52 51 28 25 79 22 25 39 45 21 52 55 48 48 85</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">-6.644</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="34">4.98 4.22 4.17 3.86 3.40 3.23 3.00 2.99 2.93 2.75 2.61 2.54 2.49 2.46 2.35 2.29 2.14 2.05 1.99 1.92 1.67 1.62 1.50 1.50 1.49 1.45 1.45 1.40 1.34 1.29 1.26 1.18 1.17 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:x P:y P:z P:y P:y P:x P:z P:x P:z P:z P:x P:x P:z P:x P:x P:z P:y P:z P:z P:y P:x P:x P:x P:z P:z P:y P:y P:x P:x P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">48 33 39 37 39 47 50 79 43 22 45 94 31 35 32 35 31 37 28 51 21 83 51 53 45 40 21 33 40 52 46 48 40 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">-6.627</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="34">5.67 3.84 3.54 3.46 3.39 3.19 3.06 2.89 2.53 2.53 1.95 1.90 1.85 1.82 1.67 1.51 1.50 1.48 1.47 1.40 1.39 1.34 1.31 1.25 1.25 1.21 1.13 1.10 1.09 1.08 1.08 1.06 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:x P:y P:x P:y P:x P:y P:x P:x P:z P:y P:z P:y P:z P:x P:z P:y P:z P:z P:y P:z P:z P:x P:y P:x P:y P:x P:x P:x P:z P:x P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">95 39 32 84 34 33 51 79 44 30 29 28 98 36 83 29 43 27 22 22 84 41 37 25 95 28 75 21 47 42 52 52 37 44</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">-6.621</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="27">4.29 4.09 3.86 3.05 2.29 2.18 2.08 2.03 2.02 1.89 1.85 1.80 1.57 1.49 1.39 1.39 1.37 1.36 1.32 1.31 1.29 1.24 1.12 1.10 1.06 1.06 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:y P:z P:y P:y P:y P:z P:z P:x P:y P:y P:z P:y P:z P:x P:z P:y P:y P:z P:x P:y P:z P:z P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">36 41 79 36 22 24 42 47 38 21 75 28 86 64 98 26 38 31 25 62 58 58 52 43 79 65 66</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">-6.598</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">6.85 3.53 3.40 3.04 2.93 2.83 2.80 2.71 2.28 2.19 2.12 2.06 1.87 1.64 1.52 1.36 1.24 1.16 1.09 1.09 1.08 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 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y P:z P:y P:x P:y P:z P:z P:y P:z P:y P:z P:x P:y P:y P:x P:x P:x P:y P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 53 31 98 86 79 26 65 79 53 42 33 70 75 44 70 32 94 47 58 98 64 58 36</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">-6.594</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="27">7.07 5.13 4.43 3.39 3.26 3.19 3.14 2.70 2.57 2.41 2.09 2.08 2.07 1.91 1.89 1.88 1.85 1.76 1.75 1.64 1.57 1.50 1.40 1.38 1.24 1.20 1.14</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:x P:x P:z P:z P:x P:z P:z P:x P:y P:y P:x P:z P:x P:z P:z P:y P:z P:y P:y P:z P:x P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">75 26 75 79 53 40 25 27 94 41 41 30 26 22 35 35 83 34 36 27 42 79 51 44 95 83 36</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">-6.584</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">9.03 5.24 5.05 4.28 3.97 3.48 3.32 2.85 2.50 2.12 2.11 2.11 2.08 1.89 1.68 1.67 1.60 1.57 1.55 1.43 1.37 1.37 1.23 1.21 1.05 1.02 1.02 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:x P:x P:z P:y P:y P:y P:x P:z P:x P:z P:y P:z P:y P:x P:z P:z P:y P:y P:x P:y P:y P:y P:z P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">26 26 41 30 95 75 84 21 52 47 55 44 84 45 55 35 85 55 24 85 51 30 40 50 86 43 50 40 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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.559</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="17">11.57 8.31 6.62 6.17 4.12 4.05 3.18 3.08 2.64 2.56 1.98 1.67 1.56 1.51 1.14 1.05 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:z P:y P:y P:x P:y P:x P:z P:y P:z P:z P:x P:z P:x P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">78 67 87 88 64 62 99 91 93 88 77 91 54 58 58 61 62</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">-6.553</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="24">5.66 4.29 4.29 3.60 3.51 2.95 2.57 2.55 2.35 2.27 2.25 2.22 2.06 2.06 1.96 1.95 1.68 1.59 1.52 1.26 1.25 1.24 1.12 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:y P:y P:y P:y P:z P:z P:y P:x P:z P:z P:y P:z P:y P:z P:y P:x P:x P:y P:x P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">55 44 24 26 98 78 67 95 55 75 42 84 95 32 34 75 98 21 88 47 24 43 35 91</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">-6.547</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="18">11.78 8.15 7.46 4.66 4.18 4.09 3.89 3.76 3.53 3.44 3.15 1.80 1.52 1.43 1.31 1.21 1.16 1.12</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:x P:y P:x P:z P:z P:y P:y P:x P:y P:y P:z P:y P:z P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">99 77 87 96 77 96 67 23 88 91 96 23 99 88 23 77 76 91</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">-6.531</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="24">8.06 7.37 6.76 5.45 4.66 4.66 4.24 2.83 2.79 2.64 1.96 1.95 1.92 1.91 1.84 1.76 1.75 1.73 1.67 1.54 1.38 1.23 1.06 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:z P:y P:y P:x P:z P:y P:x P:z P:x P:y P:x P:y P:y P:y P:z P:z P:y P:y P:x P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">62 93 64 60 54 60 23 60 54 81 67 78 54 70 86 70 91 62 57 61 23 65 64 96</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">-6.512</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="17">15.52 11.20 10.13 5.50 3.98 3.83 3.77 3.05 2.21 2.14 1.90 1.79 1.77 1.37 1.34 1.21 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 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:x P:z P:x P:y P:y P:y P:z P:z P:z P:x P:y P:z P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">98 41 42 98 95 98 26 24 35 40 42 55 75 22 26 83 94</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">-6.482</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="25">8.26 4.79 4.44 3.71 3.40 3.33 3.26 3.15 2.86 2.78 2.72 2.47 2.24 2.13 1.76 1.64 1.56 1.55 1.47 1.39 1.34 1.25 1.17 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:x P:x P:x P:y P:z P:z P:x P:y P:x P:z P:z P:x P:y P:z P:x P:y P:x P:x P:x P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 47 37 24 86 55 70 55 70 21 43 65 60 38 38 65 23 29 34 94 43 54 84 30 37</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">-6.464</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="35">5.35 5.03 3.77 3.76 3.70 3.56 3.09 2.99 2.95 2.88 2.78 2.18 2.09 2.04 2.01 1.98 1.88 1.84 1.71 1.70 1.62 1.60 1.59 1.58 1.51 1.35 1.34 1.26 1.26 1.17 1.15 1.11 1.09 1.03 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:z P:x P:z P:x P:z P:y P:y P:y P:y P:z P:z P:z P:z P:x P:y P:z P:y P:y P:x P:z P:z P:y P:x P:x P:z P:y P:x P:z P:x P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">76 65 73 86 49 80 71 71 73 63 91 96 54 99 76 63 67 66 38 23 81 82 38 97 78 96 80 74 74 93 68 96 63 74 92</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">-6.449</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="29">10.76 4.70 4.66 4.23 3.56 3.24 3.21 3.09 3.08 3.06 2.26 2.11 1.95 1.90 1.85 1.77 1.70 1.69 1.63 1.54 1.46 1.40 1.36 1.31 1.31 1.30 1.27 1.25 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:x P:z P:y P:z P:x P:y P:y P:z P:y P:z P:y P:x P:x P:x P:z P:z P:x P:x P:y P:x P:z P:x P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">62 71 60 70 70 93 80 64 73 58 58 73 71 87 76 81 91 82 88 72 86 78 80 77 62 97 56 38 92</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">-6.445</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="23">12.02 11.87 6.53 5.11 4.61 4.47 3.76 3.37 3.13 3.02 2.94 2.43 2.33 2.19 2.06 1.75 1.52 1.49 1.28 1.24 1.15 1.10 1.06</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:x P:y P:z P:y P:x P:x P:y P:z P:z P:z P:y P:x P:x P:x P:z P:z P:z P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">24 55 55 45 48 75 21 47 37 43 26 37 84 24 26 48 84 98 42 21 39 52 52</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">-6.434</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="27">5.21 4.97 4.75 4.04 3.93 3.80 3.44 2.87 2.77 2.77 2.35 2.25 2.13 2.06 2.02 2.02 1.75 1.53 1.42 1.28 1.20 1.19 1.17 1.15 1.05 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:y P:z P:y P:z P:z P:x P:x P:x P:y P:x P:x P:y P:z P:z P:y P:z P:y P:y P:z P:y P:z P:x P:z P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">86 70 70 55 65 37 21 47 24 38 55 23 84 54 38 49 91 63 69 90 96 65 38 60 44 70 56</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">-6.401</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="23">8.57 6.66 6.12 5.64 4.56 3.90 3.61 3.52 2.79 2.57 2.49 2.48 2.30 2.12 1.68 1.68 1.65 1.62 1.45 1.27 1.24 1.20 1.10</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:x P:z P:y P:x P:x P:x P:x P:z P:z P:y P:x P:y P:z P:z P:z P:y P:y P:y P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">38 65 38 90 86 78 56 69 59 93 93 87 67 64 49 82 64 63 57 74 74 57 71</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">-6.388</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="30">6.73 4.27 4.05 3.66 3.51 3.47 3.46 3.20 2.85 2.74 2.46 2.45 2.25 1.73 1.69 1.64 1.64 1.56 1.55 1.45 1.41 1.31 1.27 1.26 1.19 1.15 1.14 1.09 1.02 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:x P:x P:x P:z P:y P:x P:z P:x P:x P:z P:x P:z P:x P:z P:z P:y P:y P:y P:x P:y P:x P:x P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">86 58 59 97 65 66 89 23 99 54 70 90 49 67 59 77 62 57 93 67 90 96 57 49 88 62 91 64 73 63</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">-6.370</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">8.93 5.86 4.70 4.22 3.90 3.83 3.62 2.94 2.77 2.52 2.42 2.35 2.06 2.00 1.87 1.82 1.80 1.74 1.72 1.60 1.33 1.32 1.25 1.22 1.18 1.18 1.18 1.15 1.08 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:x P:z P:y P:z P:x P:x P:y P:z P:z P:x P:x P:z P:y P:z P:z P:y P:x P:y P:x P:z P:z P:z P:x P:z P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">38 57 69 93 54 54 90 54 90 38 23 87 78 89 56 90 63 23 62 97 80 59 69 80 89 77 63 58 69 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 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">-6.365</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="34">5.59 5.15 4.15 4.00 3.01 2.98 2.98 2.91 2.81 2.72 2.27 2.08 1.96 1.92 1.88 1.79 1.73 1.73 1.57 1.49 1.44 1.35 1.33 1.32 1.29 1.29 1.26 1.17 1.16 1.15 1.15 1.10 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">P:x P:z P:x P:x P:x P:x P:z P:x P:x P:x P:y P:y P:y P:x P:z P:z P:x P:z P:z P:z P:x P:y P:x P:x P:x P:y P:z P:x 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 38 62 58 70 97 23 38 78 59 64 49 59 57 74 66 60 54 49 88 23 88 74 90 66 67 70 81 57 82 87 68 61 69</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">-6.360</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="30">5.48 4.75 4.02 4.01 3.60 3.37 3.35 2.97 2.91 2.63 2.42 2.40 2.32 2.24 2.09 1.99 1.98 1.80 1.79 1.78 1.42 1.35 1.34 1.33 1.33 1.31 1.27 1.20 1.14 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">P:x P:y P:z P:z P:z P:y P:y P:z P:x P:z P:z P:z P:x P:y P:z P:y P:z P:z P:y P:z P:x P:z P:y P:z P:x P:y P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">87 59 92 60 90 61 64 59 89 82 62 93 60 60 64 62 69 81 92 61 86 99 68 70 61 56 89 76 78 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">-6.350</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="29">6.53 5.97 5.65 5.09 4.84 4.75 3.54 3.40 3.36 3.05 2.95 2.68 2.62 2.40 2.26 2.15 1.89 1.76 1.47 1.39 1.38 1.38 1.34 1.26 1.25 1.23 1.22 1.11 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:z P:z P:y P:x P:x P:z P:z P:z P:y P:y P:y P:x P:y P:x P:x P:y P:z P:x P:z P:z P:x P:y P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">42 34 83 28 22 94 35 94 52 40 95 44 31 95 51 34 50 75 35 32 30 32 33 85 26 46 33 53 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">-6.315</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="24">14.81 5.62 5.52 5.46 4.96 3.50 3.14 3.09 2.40 2.20 2.16 2.04 1.84 1.77 1.61 1.54 1.49 1.48 1.45 1.26 1.07 1.04 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:y P:y P:x P:y P:z P:y P:z P:y P:x P:y P:x P:y P:z P:y P:y P:z P:z P:z P:x P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">57 56 89 78 59 72 90 54 82 68 23 89 73 74 61 93 23 61 38 62 92 54 60 67</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">-6.304</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="26">6.23 5.94 4.83 4.63 3.87 3.81 3.59 3.22 2.74 2.63 2.58 2.36 2.14 1.77 1.73 1.71 1.47 1.40 1.33 1.28 1.26 1.26 1.24 1.13 1.05 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:z P:y P:y P:y P:x P:x P:y P:z P:z P:x P:z P:z P:z P:y P:z P:x P:x P:y P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">89 90 57 69 82 56 89 57 87 59 92 74 90 96 54 23 38 59 56 65 49 64 67 78 69 70</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">-6.282</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="27">10.68 7.44 6.56 5.74 4.76 4.65 3.65 3.44 3.33 3.05 2.33 2.25 2.06 1.77 1.72 1.67 1.56 1.43 1.39 1.39 1.32 1.19 1.18 1.13 1.09 1.07 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:z P:y P:x P:x P:z P:y P:z P:y P:x P:x P:z P:x P:z P:x P:y P:y P:z P:y P:z P:z P:x P:y P:y P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">89 57 89 87 59 76 80 90 59 78 64 57 73 80 73 23 54 64 23 99 23 59 71 86 76 90 71</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">-6.259</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="21">11.32 7.64 5.55 4.59 4.45 4.03 3.67 2.29 2.23 2.16 1.95 1.81 1.74 1.73 1.66 1.58 1.33 1.29 1.19 1.13 1.07</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:y P:z P:y P:z P:z P:z P:z P:x P:z P:y P:z P:y P:y P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">33 51 22 40 31 31 22 28 83 50 89 35 52 38 83 94 31 35 38 32 38</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">-6.238</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="25">12.53 11.47 6.29 6.15 5.97 5.03 4.18 3.19 2.77 2.12 2.01 1.93 1.93 1.86 1.79 1.74 1.70 1.69 1.64 1.44 1.31 1.17 1.14 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:x P:x P:z P:y P:z P:y P:z P:z P:z P:y P:x P:x P:z P:z P:x P:x P:x P:y P:y P:x P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">50 32 52 42 28 44 83 95 40 95 52 22 34 35 28 55 51 28 34 33 51 35 52 31 94</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">-6.206</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="27">8.86 8.68 5.42 5.31 5.00 4.92 4.88 3.77 3.64 3.31 2.93 2.69 2.47 2.38 2.36 2.01 1.99 1.68 1.31 1.27 1.23 1.20 1.12 1.08 1.04 1.04 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:x P:x P:y P:y P:y P:z P:y P:z P:z P:z P:z P:y P:x 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:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">25 36 42 34 95 29 44 27 94 72 35 29 83 27 40 83 40 29 68 42 75 35 24 26 95 94 44</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">-6.197</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="14">25.51 10.12 4.95 3.95 3.56 3.20 2.65 2.34 1.75 1.38 1.30 1.06 1.06 1.01</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:z P:x P:x P:y P:z P:z P:y P:y P:y P:z P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">72 68 72 72 82 64 57 68 64 63 90 36 44 42</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">-6.146</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="26">10.27 9.02 7.15 4.52 3.80 3.60 3.52 3.22 3.12 2.76 2.51 2.45 2.45 2.28 1.98 1.62 1.59 1.58 1.58 1.55 1.52 1.28 1.09 1.08 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:z P:x P:x P:x P:y P:z P:z P:y P:y P:x P:y P:x P:x P:y P:x P:y P:y P:z P:z P:x P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">49 63 66 97 69 82 74 96 91 68 56 97 81 99 56 68 90 92 64 81 67 61 91 59 69 86</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">-6.144</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="20">9.11 7.50 7.48 7.33 6.34 5.38 5.11 4.25 4.23 3.99 3.76 3.59 3.20 2.99 2.46 1.86 1.58 1.42 1.17 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:z P:x P:x P:y P:z P:z P:x P:y P:z P:x P:z P:z P:z P:z P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">55 75 24 27 36 26 26 75 25 24 29 29 25 27 55 36 29 24 47 25</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">-6.081</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="23">11.86 11.48 7.94 7.82 5.68 5.11 4.83 4.13 3.04 2.63 2.48 2.25 2.22 2.16 1.76 1.49 1.39 1.36 1.21 1.08 1.04 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:y P:y P:z P:z P:x P:x P:z P:y P:z P:x P:z P:x P:y P:x P:y P:x P:z P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">26 55 75 24 51 32 31 52 52 75 22 24 28 33 31 50 28 50 32 44 24 27 75</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">-6.031</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="25">9.28 7.42 5.85 5.45 5.20 4.83 4.44 4.00 3.94 3.36 3.05 2.71 2.23 2.22 2.18 1.88 1.54 1.51 1.39 1.39 1.30 1.23 1.14 1.13 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:x P:x P:y P:y P:z P:z P:x P:x P:x P:z P:z P:z P:z P:z P:z P:x P:y P:x P:y P:y P:z P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">67 97 92 91 91 74 99 66 69 96 61 72 63 81 92 72 96 56 97 81 82 49 91 58 68</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">-5.996</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="26">8.13 7.85 7.66 6.21 6.16 5.65 4.22 3.15 2.83 2.80 2.17 2.15 2.15 2.05 2.04 2.02 1.88 1.82 1.80 1.66 1.58 1.50 1.42 1.34 1.28 1.10</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:y P:z P:x P:z P:y P:z P:z P:y P:z P:x P:x P:y P:x P:y P:y P:x P:z P:x P:y P:x P:x P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">99 82 61 66 96 68 74 68 56 81 96 92 49 67 96 81 81 56 97 92 61 91 74 91 69 67</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">-5.980</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="24">7.57 7.08 6.68 6.27 5.72 5.67 5.44 4.64 4.51 4.33 4.27 3.71 3.60 3.06 2.99 2.68 2.40 2.37 2.09 1.92 1.89 1.46 1.43 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:z P:x P:y P:x P:y P:z P:y P:z P:x P:z P:x P:y P:y P:z P:y 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="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">50 28 33 42 32 22 83 44 40 51 52 35 95 34 22 31 94 95 31 94 35 28 51 34</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">-5.899</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="28">13.61 11.35 5.85 5.24 4.65 4.54 4.11 3.48 3.35 3.32 2.81 2.78 2.71 2.52 2.24 2.19 2.07 2.02 1.87 1.58 1.42 1.37 1.29 1.17 1.13 1.12 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:y P:y P:z P:z P:z P:y P:z P:y P:x P:x P:z P:y P:z P:y P:x P:x P:z P:x P:x P:z P:x P:x P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">70 58 68 82 81 60 62 49 74 56 74 60 69 62 63 60 63 59 90 81 82 70 90 69 59 49 57 89</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">-5.849</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="28">8.12 8.05 7.62 5.88 5.44 4.67 4.43 4.24 3.68 3.29 3.07 2.20 2.11 2.10 1.98 1.95 1.71 1.69 1.62 1.61 1.59 1.54 1.42 1.31 1.20 1.16 1.09 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:x P:y P:y P:z P:z P:y P:x P:x P:z P:z P:z P:x P:x P:x P:z P:x P:x P:z P:y P:y P:x P:y P:z P:y P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">36 26 55 75 24 75 27 25 29 27 26 29 32 33 28 50 51 25 24 29 24 22 52 42 40 27 44 31</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">-5.835</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="24">11.59 10.72 8.62 6.82 6.09 4.97 4.02 3.45 3.36 3.05 2.86 2.82 2.37 1.99 1.95 1.88 1.77 1.57 1.50 1.49 1.45 1.28 1.23 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:z P:z P:y P:y P:x P:x P:z P:y P:x P:z P:y P:x P:y P:x P:z P:y P:y P:z P:x P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">90 57 59 89 67 99 92 61 57 61 92 90 90 97 91 57 96 58 66 62 99 56 60 66</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">-5.823</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="18">11.21 9.59 8.39 6.57 6.40 6.21 5.73 5.40 4.45 4.12 3.14 3.12 2.25 2.11 1.96 1.90 1.06 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:y P:y P:x P:z P:z P:x P:y P:x P:z P:x P:z P:z P:z P:y P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">89 59 60 59 62 70 90 58 60 62 57 89 90 57 62 58 58 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">-5.734</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="23">8.67 7.98 7.07 6.89 6.28 6.08 5.71 5.41 5.09 4.36 3.83 3.57 2.76 2.45 2.31 2.29 1.92 1.81 1.69 1.31 1.30 1.20 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:y P:z P:y P:z P:x P:x P:y P:x P:x P:z P:x P:z P:z P:y P:z P:y P:y P:x P:y P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">82 74 68 61 99 66 92 97 67 81 81 96 91 49 63 91 96 69 56 92 68 97 56</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">-5.562</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="27">8.52 8.00 6.58 6.41 5.88 5.08 4.92 4.56 3.91 3.23 2.44 2.43 2.34 2.33 2.29 2.24 1.92 1.89 1.78 1.67 1.56 1.50 1.48 1.40 1.34 1.23 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:x P:y P:y P:z P:x P:z P:x P:z P:y P:z P:z P:x P:x P:y P:y P:z P:z P:x P:z P:y P:y P:x P:y P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 89 59 57 70 90 60 62 90 59 60 62 99 62 82 58 61 67 74 92 68 66 57 57 81 89 97</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">-4.899</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="12">24.90 17.24 8.97 8.12 6.68 5.37 3.73 3.56 2.88 1.30 1.19 1.14</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">D:x2-y2 D:yz P:y D:xy P:x D:xz P:z P:x P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 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="12">100 100 83 100 35 100 83 79 35 35 43 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc 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">-4.607</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="20">14.64 14.05 11.42 7.47 3.92 3.28 3.20 2.62 2.02 1.78 1.65 1.57 1.40 1.36 1.35 1.26 1.18 1.17 1.15 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">D:xy D:yz D:yz D:z2 P:y P:z P:y D:xy P:x P:y P:z P:z P:x P:y P:z P:x P:x P:z D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 1.00 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 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 101 100 100 95 98 42 101 35 44 42 35 25 34 40 98 36 27 101 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc Tc O O O Tc 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">-4.591</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="16">29.60 8.16 7.02 6.80 6.21 5.93 3.38 2.38 2.24 2.09 1.93 1.65 1.46 1.12 1.07 1.03</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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:z2 P:z D:yz P:z P:x D:x2-y2 D:xz P:x D:yz P:x D:xy P:y D:xy D:xz P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -9.089 -6.681 -4.492 -9.089 3.841</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.33 1.00 1.33 1.33 1.00 1.00 1.33 1.00 1.33 1.00 1.33 1.00 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">100 98 101 42 95 100 100 98 100 41 100 98 101 4 83 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc O Tc O O Tc Tc O Tc O Tc O Tc W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.405</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="21">18.67 12.15 4.93 4.19 4.15 3.12 2.97 2.91 2.78 2.76 2.47 2.45 2.42 2.39 2.37 2.16 1.62 1.46 1.37 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">D:yz D:yz D:xy D:x2-y2 D:xy P:y P:y P:y P:x P:y P:x P:z D:x2-y2 P:z P:z P:z P:x P:z P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">101 100 100 100 101 95 44 42 36 34 25 40 101 35 83 94 35 29 27 100 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Tc Tc Tc O O O O O O O Tc 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">-4.356</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="14">32.60 12.19 9.56 4.92 4.52 3.30 3.04 2.40 2.16 1.93 1.70 1.67 1.55 1.28</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:z2 D:xz P:y D:yz P:x P:z P:x P:y P:y D:z2 P:x D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">101 101 101 40 101 94 44 34 94 38 103 47 103 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc O Tc O O O O O Tc O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.332</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="15">20.79 17.45 9.83 6.88 5.85 4.89 4.49 2.68 1.88 1.70 1.39 1.31 1.29 1.17 1.16</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:z2 D:x2-y2 D:yz D:xz P:z D:xy P:x P:y D:x2-y2 P:x P:x P:z D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">101 101 101 101 44 101 34 40 103 21 94 38 103 94 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc O Tc O O Tc O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.726</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="13">28.52 21.69 6.04 4.79 3.13 2.85 2.40 2.36 1.99 1.86 1.54 1.20 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:xz D:x2-y2 D:xy D:yz D:xz P:x P:x S D:xy D:z2 S D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -5.054 -6.681 -6.681 -24.020 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 1.00 1.00 1.33 1.33 2.00 1.00 1.00 2.00 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">101 101 101 103 103 38 37 101 103 101 38 101 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc Tc Tc Tc O O Tc Tc Tc O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.381</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="23">20.80 10.42 6.03 4.76 3.93 3.64 2.78 2.67 2.42 2.24 2.11 1.76 1.59 1.44 1.43 1.38 1.26 1.20 1.14 1.03 1.02 1.01 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">D:yz D:xy D:yz D:x2-y2 D:xy D:xz D:xz P:x D:z2 D:xy D:xz P:z D:z2 D:xy P:y D:xz D:x2-y2 P:y D:yz P:z P:z D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.00 1.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.00 0.80 1.33 1.00 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">103 103 102 103 14 11 9 70 12 6 6 60 103 11 59 103 7 89 7 57 90 12 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc Tc Tc W W W O W W W O Tc W O Tc W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="14">40.14 15.34 13.70 3.07 2.56 1.88 1.73 1.46 1.46 1.26 1.23 1.17 1.16 1.06</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:yz D:x2-y2 P:x P:y D:xy D:x2-y2 P:z P:x P:y D:xz P:y D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">102 102 102 81 74 15 8 93 78 93 8 81 102 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc O O W W O O O W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">7.33 6.14 6.08 5.30 4.99 4.18 3.15 2.83 2.80 2.78 2.49 2.44 2.40 2.15 1.96 1.95 1.83 1.76 1.51 1.45 1.31 1.30 1.26 1.14 1.05 1.05 1.05 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:xy D:z2 D:xy D:z2 D:xz D:yz D:xz D:z2 D:x2-y2 D:z2 P:y D:xy D:yz P:z D:xy P:y D:xz P:y P:z P:y P:x D:x2-y2 P:x P:z D:z2 D:yz D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</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 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">20 2 4 18 5 3 19 5 17 3 44 2 17 40 18 34 17 95 94 42 51 19 32 35 17 19 19 33 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W O W W O W O W O O O O W O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">27.48 8.74 5.71 3.97 3.42 2.93 2.68 2.45 2.43 1.75 1.66 1.45 1.43 1.42 1.39 1.32 1.28 1.18 1.17 1.13 1.12 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">D:yz D:xy D:yz P:x D:xy D:z2 D:xy D:xz P:z P:y D:z2 P:x P:y P:z P:y D:x2-y2 D:x2-y2 D:xy P:z D:xz P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -4.492 -9.089 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.33 0.80 0.80 1.00 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 1.00 0.80 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">102 102 103 58 10 8 103 15 62 82 13 70 62 74 68 102 103 8 81 102 66 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc O W W Tc W O O W O O O O Tc Tc W O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="12">30.52 22.98 6.39 6.11 5.96 3.01 2.84 2.81 1.92 1.89 1.49 1.39</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:z2 D:xz P:z D:xy D:x2-y2 P:z P:x D:xz P:x P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 1.33 1.00 1.00 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">102 102 72 102 102 82 68 13 72 64 87 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc O Tc Tc O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">12.00 8.05 6.67 4.34 3.84 3.41 3.20 2.57 2.46 2.44 2.06 1.95 1.93 1.58 1.54 1.52 1.48 1.44 1.40 1.31 1.29 1.26 1.19 1.12 1.10 1.08 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">D:xz D:xz D:xy D:xy D:xy P:y P:y P:z D:xy P:z D:x2-y2 D:z2 D:xz P:y D:z2 P:x D:yz P:x D:xz P:y P:z P:z P:x D:x2-y2 D:yz P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 16 16 1 4 55 26 24 20 75 16 2 19 42 18 33 3 50 5 44 83 40 32 19 17 31 51 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W O O O W O W W W O W O W O W O O O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">8.12 6.23 5.89 4.53 4.14 3.46 2.98 2.56 2.54 2.37 2.33 2.26 2.24 2.22 2.00 1.97 1.88 1.86 1.74 1.66 1.62 1.59 1.43 1.34 1.12 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 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:xy D:z2 D:xz D:xz D:z2 D:x2-y2 D:xy D:yz P:y D:z2 D:xz P:y D:yz D:yz D:z2 D:x2-y2 P:x P:z P:y P:z P:x P:z D:xy D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 10 12 15 9 8 7 12 7 56 13 7 49 13 9 15 9 67 63 82 69 99 74 8 9 68 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W O W W O W W W W 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">-2.774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">6.43 6.33 5.17 5.09 4.00 3.24 3.19 2.67 2.51 2.41 2.33 2.07 2.05 2.03 2.03 2.02 1.85 1.83 1.77 1.67 1.65 1.62 1.55 1.53 1.47 1.44 1.33 1.25 1.17 1.15 1.14 1.13 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:xy D:z2 D:xy D:z2 D:yz D:xz D:xz D:x2-y2 D:z2 P:y D:yz D:z2 P:y P:z P:y D:xy P:x P:y P:x D:x2-y2 P:x P:x P:z P:z P:z D:xy D:z2 D:xz P:z P:z D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">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 1.33 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">4 2 20 18 3 5 19 17 3 34 17 5 95 94 42 2 33 44 51 19 32 50 35 40 83 18 17 17 31 28 19 22 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W O W W O O O W O O O W O O O O O W W W O O W O O</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">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">14.83 10.26 7.99 5.36 2.66 2.43 2.14 2.05 1.88 1.76 1.62 1.52 1.44 1.39 1.28 1.18 1.09 1.08 1.07 1.04 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:xz D:xz D:xy D:xy D:x2-y2 D:yz P:x P:x P:x D:xy P:x P:z P:y D:yz P:z P:z P:z P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.33 0.80 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="21">1 16 16 1 16 100 33 50 32 4 51 28 26 101 52 75 31 55 22 22 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W Tc O O O W 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">-2.666</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">10.54 7.24 5.65 4.57 4.09 3.42 3.40 2.79 2.78 2.54 2.43 2.38 2.29 2.07 1.92 1.84 1.76 1.72 1.72 1.71 1.19 1.17 1.10 1.00</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 D:xz D:xy D:xy D:xy P:y D:z2 D:x2-y2 P:z P:y D:xz D:yz D:z2 P:x P:x P:z D:z2 P:z P:y P:y P:z P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 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="24">11 6 6 11 10 89 8 6 57 59 15 13 13 66 97 90 15 74 82 68 81 91 8 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O W W O O W W W O O 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">-2.483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">9.81 8.44 4.56 4.47 3.07 2.99 2.82 2.60 2.45 2.22 2.01 1.79 1.79 1.64 1.55 1.39 1.38 1.21 1.20 1.12 1.07 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">D:xy D:z2 P:y D:xz D:x2-y2 D:xy D:xz P:z D:xy D:z2 D:xz D:xy D:yz P:y D:z2 P:z D:yz D:x2-y2 D:x2-y2 P:y D:z2 P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.33 1.00 0.80 0.80 0.80 1.33 0.80 1.00 0.80 0.80 1.00 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">103 103 38 103 9 10 14 38 14 101 15 9 103 49 8 63 9 7 12 82 13 74 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc O Tc W W W O W Tc W W Tc O W O W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.454</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.01 2.89 2.72 2.44 2.28 2.00 1.93 1.89 1.85 1.81 1.77 1.72 1.66 1.64 1.55 1.55 1.47 1.27 1.26 1.25 1.19 1.18 1.15 1.13 1.08 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">D:z2 D:z2 D:x2-y2 D:xy D:xy D:xy D:z2 D:xy D:xz D:xz D:yz D:xz D:z2 D:xz D:z2 D:xy D:z2 D:x2-y2 D:z2 D:xy D:yz D:x2-y2 D:x2-y2 D:xz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">101 2 101 10 4 20 18 14 100 20 3 101 8 15 12 5 5 19 100 17 13 100 5 9 17 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc W Tc W W W W W Tc W W Tc W W W W W W Tc W W Tc W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="13">25.10 11.41 7.93 6.16 5.20 3.09 2.49 2.10 1.80 1.76 1.57 1.43 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:x2-y2 D:yz D:z2 P:x P:y D:xz D:xy P:z P:x D:xz D:xy P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">103 103 103 38 38 14 9 38 65 103 101 86 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc Tc O O W W O O Tc Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">6.83 5.26 4.47 4.31 3.94 3.87 3.75 3.41 3.18 3.17 2.89 2.69 2.63 2.61 2.39 2.24 2.15 2.01 1.73 1.73 1.56 1.48 1.36 1.29 1.21 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">D:xy D:xy P:x P:x D:yz D:yz D:xz P:y D:x2-y2 D:xy D:xy P:y D:z2 D:xz D:xz P:z D:x2-y2 P:z P:x D:yz D:x2-y2 D:yz D:yz D:xy D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 3 46 85 2 17 16 84 2 16 17 30 16 18 1 43 18 53 43 20 17 5 18 2 19 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W O O W W W O W W W O W W W O W 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">-2.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="18">16.57 8.04 4.39 2.88 2.39 2.25 2.04 1.97 1.58 1.58 1.43 1.41 1.39 1.32 1.26 1.20 1.14 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:z2 D:xy P:z P:y D:xz D:z2 D:xy D:xy D:z2 D:z2 D:xz D:yz D:xz D:xz D:xz D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.33 1.33 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">103 103 38 38 103 7 10 14 12 8 9 13 101 15 14 20 86 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc O O Tc W W W W W W W Tc W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.412</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">6.58 6.02 4.63 4.44 3.98 3.59 3.52 3.29 3.01 2.87 2.48 2.34 2.27 2.12 2.05 1.85 1.75 1.69 1.65 1.61 1.51 1.47 1.22 1.16 1.08 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">D:yz D:yz D:yz D:z2 D:z2 P:y P:y P:z D:z2 P:z D:z2 P:z D:yz D:x2-y2 P:y D:xy D:x2-y2 D:x2-y2 D:yz P:z D:z2 D:yz P:y D:yz D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">5 20 4 16 1 21 41 47 19 79 4 46 19 16 85 20 19 1 1 85 103 17 46 2 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O O O W O W O W W O W W W W O Tc W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">7.89 6.79 6.64 6.34 4.85 3.55 2.82 2.51 2.49 2.34 2.22 2.17 2.17 2.16 1.99 1.95 1.53 1.52 1.45 1.33 1.15 1.13 1.05 1.04 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">D:xy D:z2 D:xz D:xz D:x2-y2 D:yz P:x D:xz D:xy D:z2 P:x P:x P:x D:xy D:yz D:xy D:z2 D:xz P:y P:z P:z D:x2-y2 D:yz P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 1.00 0.80 1.00 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.00 0.80 0.80 0.80 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="25">4 18 19 100 3 100 36 3 18 19 98 32 51 100 3 1 3 16 34 98 29 19 4 29 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W Tc W Tc O W W W O O O Tc W W W 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">-2.310</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">11.29 9.61 9.31 8.09 6.09 5.13 2.80 2.04 1.96 1.86 1.85 1.81 1.74 1.71 1.56 1.44 1.31 1.25 1.21 1.21 1.16 1.12 1.11 1.09 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:xz D:xz D:yz D:yz D:xy D:xy D:x2-y2 P:x D:xy P:x P:x D:x2-y2 P:z P:x D:x2-y2 P:y P:z P:y P:z P:y P:y P:z P:z D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 1.00 1.00 0.80 0.80 0.80 1.33 1.00 1.33 1.33 1.00 1.33 1.33 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="25">11 6 102 103 6 11 6 99 103 66 97 103 61 67 11 49 74 82 96 92 56 63 91 102 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W Tc Tc W W W O Tc O O Tc O O 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">-2.249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">8.49 7.79 7.16 5.90 4.94 3.11 3.08 2.79 2.38 2.04 1.97 1.81 1.51 1.40 1.33 1.26 1.25 1.13 1.08 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:xz D:z2 D:xy D:xz D:x2-y2 P:x D:yz D:xy D:yz P:x D:z2 P:z P:z P:y D:x2-y2 P:z D:x2-y2 D:xy P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 0.80 0.80 0.80 0.80 1.33 1.00 1.00 0.80 1.33 0.80 1.33 1.33 1.33 1.00 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 2 20 5 17 98 100 100 17 25 18 27 98 44 100 40 3 4 31 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc W W W W O Tc Tc W O W O O O Tc O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">7.72 7.53 7.52 4.40 4.28 4.15 3.95 3.68 3.04 3.04 2.58 2.54 2.46 2.22 2.17 1.87 1.76 1.71 1.71 1.59 1.42 1.37 1.22 1.12 1.08 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">D:yz D:z2 D:yz D:z2 D:z2 P:y D:yz P:z D:xy P:y D:xy P:z P:z P:z D:z2 D:yz P:x D:xy P:x D:yz D:xy D:x2-y2 P:y D:xy D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 6 10 11 9 87 14 78 6 86 11 88 65 77 14 11 77 13 88 9 10 11 77 9 11 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W O W O W O O O W W O W O W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.01 5.43 4.45 3.86 3.76 3.51 3.40 3.37 3.20 3.20 3.10 2.91 2.85 2.46 2.35 2.34 2.20 1.90 1.87 1.78 1.66 1.54 1.54 1.50 1.24 1.18 1.14 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 D:xz D:x2-y2 D:yz P:x D:xy P:y P:y P:x D:yz D:x2-y2 D:xz D:x2-y2 P:z P:z D:xz D:yz D:z2 D:yz D:yz P:y D:x2-y2 P:x D:xy D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 1.33 0.80 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 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 11 6 6 12 88 7 23 64 77 7 8 8 12 54 93 11 8 11 10 15 77 7 54 12 11 6 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W O W O O O W W W W O O W W W W W O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.109</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">5.99 5.67 5.00 4.96 4.24 3.84 3.17 3.08 2.88 2.25 2.25 2.09 2.03 1.99 1.80 1.80 1.71 1.63 1.62 1.43 1.41 1.39 1.35 1.24 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">D:yz D:xy D:xy D:xy D:z2 D:xz P:x D:x2-y2 P:x P:z P:y D:z2 D:yz D:xz D:z2 D:x2-y2 P:z P:y D:xy D:z2 D:xy D:yz D:yz P:x D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.00 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">5 1 16 3 16 100 46 17 85 47 30 1 17 1 19 19 79 84 17 17 100 1 19 98 100 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W Tc O W O O O W W W W W O O W W Tc W W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">7.10 5.25 4.48 4.00 3.82 3.69 3.52 3.12 2.82 2.40 2.37 2.11 2.08 2.06 2.01 1.96 1.62 1.58 1.54 1.41 1.36 1.32 1.27 1.23 1.17 1.12 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:yz D:x2-y2 D:x2-y2 D:yz D:xz D:xy D:yz P:y P:y D:z2 P:z D:xz D:z2 D:xz P:x D:yz D:xy D:xy P:z D:z2 P:y D:yz P:x D:yz D:xz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 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 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">20 2 18 4 18 3 2 21 41 4 53 16 19 1 43 18 16 17 43 16 30 17 85 5 100 53 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W O O W O W W W O W W W O W O W O W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.073</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">7.06 7.02 6.29 3.97 3.53 3.47 3.42 3.11 3.02 2.91 2.84 2.20 2.18 2.13 2.08 1.99 1.92 1.66 1.65 1.59 1.57 1.38 1.22 1.22 1.10</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:x2-y2 D:z2 D:yz D:xz D:yz D:xy P:y P:z D:yz D:x2-y2 P:z D:xz P:y P:x D:yz P:x D:xy D:xy D:z2 P:y P:z P:x D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 16 16 20 16 5 1 85 46 1 1 85 1 46 46 4 85 3 17 19 21 47 27 16 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O O W W O W O O W O W W W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">9.21 8.12 5.80 4.35 3.88 3.78 3.22 2.52 2.11 2.08 2.03 1.86 1.72 1.61 1.43 1.41 1.41 1.33 1.33 1.31 1.28 1.12 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">D:xy D:xz D:z2 D:xy D:x2-y2 D:xz D:z2 D:x2-y2 D:z2 P:x D:yz P:x P:x P:x D:yz D:z2 P:y D:z2 D:xz P:z D:xy P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">14 9 8 10 13 15 12 7 9 58 7 70 66 97 14 7 49 13 13 63 8 60 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O W O O O W W O W W O W O W</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">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.43 4.19 3.89 3.83 3.20 2.96 2.55 2.38 2.09 2.01 1.95 1.79 1.61 1.59 1.58 1.55 1.54 1.48 1.45 1.28 1.16 1.15 1.03 1.03 1.02 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:xz D:xy D:xy D:xz D:xy D:xz P:x D:xy D:z2 D:xz D:z2 P:x D:xz P:z D:yz D:xy D:x2-y2 D:yz D:yz D:x2-y2 P:z D:x2-y2 P:z D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 0.80 1.00 0.80 0.80 0.80 1.33 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 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">100 20 100 5 2 19 25 4 18 17 2 98 18 27 5 1 17 17 2 5 40 3 83 16 44 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc W Tc W W W O W W W W O W O W W W W W W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.013</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">5.98 5.14 4.42 4.25 3.68 3.48 2.96 2.91 2.85 2.79 2.66 2.66 2.30 2.25 2.10 2.01 1.95 1.92 1.63 1.56 1.36 1.28 1.27 1.20 1.11 1.11 1.06</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:yz D:xz D:xy D:yz D:z2 D:yz D:yz D:xy P:y P:y P:y P:z D:xy D:z2 D:xy D:yz P:y P:x P:z D:yz D:xz P:z D:yz D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</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 1.33 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 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">3 20 18 19 4 19 5 17 5 21 30 41 53 20 4 17 2 84 79 79 18 4 47 3 18 43 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W O O O O W W W W O O O W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">6.44 4.96 3.58 3.20 3.15 2.89 2.87 2.18 2.03 1.85 1.83 1.77 1.75 1.71 1.65 1.53 1.52 1.48 1.43 1.42 1.41 1.35 1.34 1.30 1.20 1.20 1.16 1.16 1.11 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">D:z2 D:xy D:yz D:x2-y2 D:z2 D:xy D:xy D:yz D:yz D:z2 P:y D:xz D:z2 P:y D:xz D:z2 D:x2-y2 P:y P:z D:z2 D:x2-y2 D:yz D:xy P:z P:y D:xz P:z D:x2-y2 D:xz D:xz D:z2 D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 1.33 0.80 0.80 1.00 1.33 1.33 1.00 0.80 0.80 0.80 1.33 1.33 1.00 1.33 0.80 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">12 14 13 9 8 7 10 8 7 7 59 9 103 89 10 15 103 56 90 102 15 9 15 57 49 103 69 7 12 15 13 14 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W O W Tc O W W Tc O O Tc W W W O O Tc O W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.964</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">8.17 7.11 5.98 5.21 4.13 4.07 3.47 3.46 3.03 2.78 2.70 2.61 2.17 2.12 1.42 1.40 1.24 1.15 1.09 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">D:z2 D:xy D:xy D:z2 P:x P:x D:x2-y2 D:yz D:xz D:xz D:x2-y2 D:yz P:z P:z D:yz D:x2-y2 D:z2 D:xz P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">6 11 6 11 88 77 7 10 11 6 12 15 88 77 11 8 12 15 60 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W O O W W W W W W O O W W W W O 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">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.35 6.14 6.07 4.22 3.82 3.42 3.13 3.06 3.03 2.98 2.92 2.70 2.11 1.86 1.82 1.81 1.79 1.66 1.62 1.55 1.55 1.41 1.34 1.11 1.10</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:z2 D:yz D:xy D:yz P:y P:z P:y D:yz D:z2 P:z D:x2-y2 D:xz D:xy D:x2-y2 D:xy D:x2-y2 D:yz D:xy P:y P:y D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 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 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">15 10 9 14 13 7 86 78 87 12 14 65 8 8 9 12 10 14 9 12 64 23 7 93 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O O O W W O W W W W W W W W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">7.10 6.23 4.74 4.69 3.88 2.93 2.79 2.77 2.73 2.65 2.56 2.20 1.91 1.84 1.83 1.51 1.42 1.41 1.30 1.24 1.23 1.23 1.08</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:z2 D:xy D:xz D:z2 P:y P:x D:xz D:x2-y2 D:yz P:x P:z P:y D:yz D:xy D:yz D:yz P:z D:yz D:x2-y2 D:x2-y2 D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 11 11 6 6 77 88 11 11 10 77 88 88 6 13 11 14 77 15 7 12 7 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O W W W O O O W W W W O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">10.22 7.32 5.74 4.31 4.18 2.61 2.48 2.21 2.08 1.97 1.92 1.87 1.76 1.55 1.53 1.52 1.47 1.42 1.36 1.36 1.32 1.07 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">D:xy D:x2-y2 D:x2-y2 P:x D:xy D:xz P:x D:xy D:xz P:y D:xy D:yz P:y P:x P:x D:xz P:z D:x2-y2 D:yz D:yz P:x D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">5 2 18 47 19 18 79 18 2 53 3 5 43 94 43 19 43 19 2 20 40 4 35 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W O W W O W W O W W O O O W O W W W O W O O</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">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.41 8.60 7.91 7.25 5.08 3.40 3.09 2.98 2.69 2.58 1.75 1.73 1.71 1.25 1.24 1.21 1.07 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:z2 D:xz D:xz P:x P:z P:z P:x D:z2 D:z2 D:xy D:xy P:x P:x D:z2 D:xy P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">20 17 3 4 21 30 84 41 3 20 19 17 34 44 18 3 84 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W O O O O 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">-1.810</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">9.21 6.02 5.24 4.66 3.77 3.51 3.39 3.29 3.25 3.00 2.69 2.66 2.56 2.34 2.00 1.95 1.64 1.63 1.62 1.55 1.24 1.17 1.14 1.11 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">D:xy D:xz D:yz D:xy P:y D:yz P:z D:yz P:y P:z D:xy D:yz D:yz D:yz D:xy D:z2 P:y D:z2 D:xz P:y D:x2-y2 P:x P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 8 12 7 64 10 93 7 23 54 9 15 8 14 15 9 86 14 12 87 8 65 78 14 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O W O W O O W W W W W W O W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.771</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">7.64 6.33 5.71 4.12 3.97 3.60 2.95 2.71 2.56 2.49 2.40 2.25 2.17 2.07 2.00 1.98 1.77 1.77 1.74 1.26 1.22 1.16 1.13 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:x2-y2 D:xy D:xy D:xz D:xz D:xz D:yz P:x P:x P:y D:xz P:x D:xz P:z D:z2 P:z D:x2-y2 P:x P:x P:y D:xy D:z2 P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">18 5 19 3 4 18 2 79 47 53 2 94 19 30 3 43 2 34 41 83 18 101 53 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W O O O W O W O W O W O O O W Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.722</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">7.77 6.99 6.71 4.64 4.08 3.56 3.49 2.87 2.77 2.59 2.50 2.45 2.38 2.32 1.81 1.80 1.60 1.54 1.44 1.29 1.29 1.10 1.10</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:xz D:xz D:xz D:z2 P:x D:xy D:z2 D:x2-y2 P:z P:x P:z D:xy P:x D:xy P:z D:x2-y2 D:xy P:x P:z P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 4 20 3 3 21 5 20 2 30 34 84 17 41 19 44 18 3 47 42 95 101 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O W W W O O O W O W O W W O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="34">3.87 3.51 3.41 3.18 3.08 2.85 2.51 2.18 2.05 1.98 1.96 1.95 1.78 1.55 1.52 1.51 1.50 1.47 1.47 1.44 1.42 1.37 1.34 1.24 1.22 1.22 1.21 1.20 1.17 1.12 1.07 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:xz D:xy D:yz D:yz D:xy D:xy D:yz D:xz D:xz D:x2-y2 D:yz D:xy D:xz D:xz P:x D:z2 P:x D:x2-y2 P:x P:z P:z P:z D:xy D:xy D:xz D:x2-y2 D:xy P:y D:x2-y2 P:x D:yz P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">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 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">9 10 102 103 15 14 12 12 15 12 7 9 14 8 78 6 65 102 69 54 74 63 8 11 13 7 7 82 8 81 13 86 58 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W Tc Tc W W W W W W W W W W O W O Tc O O O O W W W W W O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.675</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">7.93 6.06 5.26 4.51 4.41 4.21 3.55 2.79 2.12 1.99 1.96 1.78 1.74 1.54 1.54 1.52 1.48 1.48 1.43 1.35 1.27 1.24 1.21 1.12 1.10 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:xy D:xz D:xy D:z2 D:z2 D:yz D:xz P:x D:z2 D:xy D:yz D:x2-y2 D:yz D:z2 P:y P:y P:z P:z D:z2 D:yz P:z P:z P:y P:x P:y D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">20 5 4 2 18 17 19 25 3 2 5 5 3 17 55 26 27 24 19 2 40 75 44 36 27 17 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W O W W W W W W O O 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">-1.646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">11.57 9.37 8.04 4.01 3.92 2.95 2.69 2.16 2.03 1.92 1.46 1.44 1.38 1.30 1.25 1.20 1.19 1.15 1.12 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 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:xz D:xy P:x D:xz D:yz P:x D:z2 D:xz P:x S D:xy D:xy D:yz D:x2-y2 S P:z D:x2-y2 D:xy D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -6.681 -9.089 -14.028 -4.492 -6.681 -4.492 -4.492 0.790 -9.089 -4.492 -4.492 -6.681 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 0.80 1.33 0.80 1.00 1.33 0.80 1.00 1.33 2.00 0.80 1.00 0.80 0.80 0.00 1.33 0.80 0.80 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">102 102 15 72 10 102 78 8 103 74 107 9 103 15 15 102 72 13 13 102 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc W O W Tc O W Tc O P W Tc W W Tc O W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">8.44 5.77 5.45 5.00 3.65 3.55 3.42 3.03 2.71 2.62 2.53 2.11 2.03 1.94 1.86 1.84 1.68 1.56 1.46 1.42 1.38 1.37 1.29 1.19 1.10</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:xy D:xz D:xz D:xz D:x2-y2 D:z2 D:xy P:y D:xy P:x P:x D:z2 P:y D:z2 D:xz P:z D:yz P:x P:z D:x2-y2 P:z P:x P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 1.00 0.80 1.33 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">20 16 1 5 17 2 1 55 16 50 33 5 44 101 17 24 17 32 40 101 52 51 31 22 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O W O O W O Tc W O W O O Tc O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="16">5.39 4.25 3.58 3.53 3.21 2.65 2.43 2.21 1.87 1.87 1.86 1.73 1.69 1.66 1.56 1.24</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 D:x2-y2 D:z2 D:xz D:x2-y2 P:x D:xy D:yz P:x D:x2-y2 D:xy P:z D:xy D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">10 14 12 7 13 8 87 15 15 86 7 4 23 14 18 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W W W W W O W W O W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">4.27 3.46 3.25 2.66 2.53 2.18 2.02 2.02 1.77 1.59 1.47 1.45 1.43 1.43 1.32 1.31 1.29 1.27 1.26 1.24 1.19 1.14 1.10 1.08 1.08 1.02 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:z2 D:z2 D:xz D:z2 D:xz D:xy P:y D:x2-y2 D:x2-y2 D:yz D:z2 P:z D:x2-y2 D:xz D:xz D:xz P:y P:y D:xz D:xz P:y D:xz P:z D:xz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.00 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">4 101 18 19 3 10 18 26 101 2 3 7 75 12 14 2 17 94 34 20 5 42 101 34 13 15 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W Tc W W W W W O Tc W W W O W W W W O O W W O Tc O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.92 4.81 4.47 4.09 3.42 3.25 3.00 2.75 2.64 2.25 2.15 2.07 1.90 1.69 1.59 1.53 1.52 1.49 1.46 1.31 1.30 1.26 1.10 1.04 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 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:yz D:xy D:xz D:xz D:xz D:xy D:z2 D:x2-y2 D:x2-y2 D:xy D:yz D:xy D:xz P:y D:xy P:x P:x P:y P:z P:z D:x2-y2 P:x D:x2-y2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 1.00 0.80 1.00 0.80 0.80 0.80 0.80 1.00 0.80 1.00 1.00 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">7 103 10 102 14 15 14 12 102 9 102 102 9 9 82 7 70 58 56 69 74 103 72 12 13 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W Tc W Tc W W W W Tc W Tc Tc W W O W O O O O O Tc O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.463</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.55 6.28 5.84 4.98 3.57 3.49 2.80 2.75 2.63 2.23 2.05 2.03 1.84 1.78 1.76 1.73 1.65 1.63 1.54 1.49 1.46 1.43 1.39 1.34 1.31 1.23 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:z2 D:z2 D:xy D:yz D:z2 D:xz D:z2 D:xy D:xy D:xz D:yz P:x P:z P:y D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:xy D:yz P:y P:z P:y P:y P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">8 12 10 7 7 15 13 12 14 9 12 58 60 56 13 13 7 15 8 15 59 69 89 60 90 57 62 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W O O O W W 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">-1.438</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.56 4.88 4.16 4.15 3.42 2.80 2.17 2.16 2.14 2.00 1.83 1.67 1.63 1.56 1.56 1.53 1.48 1.39 1.32 1.23 1.21 1.15 1.15 1.04 1.03 1.02 1.02 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:xy D:xz D:z2 D:xz D:x2-y2 D:x2-y2 D:yz D:xy D:xy D:yz D:z2 D:xy D:xz D:z2 P:y D:x2-y2 P:y D:x2-y2 D:xz D:z2 P:z D:yz P:x P:x D:z2 P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 16 18 19 1 3 20 1 17 5 3 20 2 16 85 2 26 19 5 17 46 17 32 51 1 36 47 21</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 W O W W W O W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">7.15 6.34 3.89 3.78 3.66 2.93 2.56 2.38 2.22 1.98 1.90 1.87 1.76 1.73 1.72 1.59 1.57 1.50 1.35 1.34 1.33 1.31 1.17 1.13 1.12 1.09 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">D:xy D:xy D:xy D:x2-y2 D:xz D:xz P:x P:x P:y P:x D:z2 D:xz D:xz D:xy D:yz D:xz P:y D:z2 D:xz P:x D:xz D:x2-y2 P:z P:x D:x2-y2 D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.00 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 1.33 1.00 0.80 1.33 1.00 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">9 15 103 8 14 8 65 78 63 81 103 10 12 102 12 9 93 102 13 69 103 9 54 86 12 7 49 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W Tc W W W O O O O Tc W W Tc W W O Tc W O Tc W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">6.12 5.94 5.52 3.64 3.54 3.28 2.91 2.72 2.62 2.61 2.40 2.39 1.73 1.68 1.68 1.63 1.60 1.51 1.45 1.39 1.38 1.38 1.36 1.32 1.31</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:xy D:xy D:xy D:z2 D:z2 P:x D:xy P:x D:z2 D:xz D:yz D:yz P:x P:x P:y D:z2 D:z2 P:z P:z D:x2-y2 P:z D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">11 6 14 11 6 8 12 97 10 66 9 9 7 13 99 67 59 13 7 92 96 6 91 15 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O W O W W W W O O O W W O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">9.95 4.48 4.21 3.93 3.43 3.39 3.08 2.95 2.74 2.58 2.51 2.37 2.26 2.15 2.06 1.96 1.84 1.74 1.48 1.47 1.38 1.36 1.11 1.10 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:z2 D:z2 D:xz P:z D:z2 P:x D:x2-y2 D:xy P:x D:z2 P:z P:x P:x D:xy D:xy D:x2-y2 D:yz P:z P:z D:x2-y2 D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -4.492 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 1.00 0.80 1.00 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.00 1.33 1.33 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">14 10 103 7 103 13 49 13 86 8 9 87 10 64 56 68 15 7 9 103 82 23 12 102 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W Tc W Tc W O W O W W O W O O O W W W Tc O O W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.279</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">6.92 4.15 3.80 3.32 3.30 3.16 3.01 2.69 2.38 2.22 2.19 2.07 2.02 1.93 1.85 1.85 1.80 1.78 1.67 1.57 1.53 1.42 1.33 1.21 1.20 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:yz D:xy D:z2 D:xy D:xy D:xz D:yz P:x P:x P:y D:yz P:z D:z2 D:yz D:z2 D:x2-y2 D:xz D:x2-y2 D:yz P:y P:z D:xz D:x2-y2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</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 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 4 17 2 19 5 18 18 29 27 30 20 53 18 2 19 17 20 18 19 84 43 4 3 36 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O O W O 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">-1.257</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">7.18 6.48 3.87 3.22 3.10 3.05 2.99 2.56 2.36 2.36 1.61 1.49 1.48 1.47 1.46 1.42 1.36 1.32 1.32 1.27 1.27 1.25 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:xy D:xy D:xz D:z2 P:x D:xz P:x D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:y D:x2-y2 D:xy D:xz D:yz D:xy D:z2 P:x D:xy P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -6.681 -9.089 -6.681 -4.492 -6.681 -4.492 -6.681 -6.681 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.00 0.80 0.80 1.00 1.33 1.00 0.80 1.00 0.80 1.00 1.00 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 16 1 16 46 16 85 18 101 1 2 101 22 100 3 100 2 100 100 52 17 31 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O W O W Tc W W Tc O Tc W Tc W Tc Tc O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.204</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">7.87 7.55 6.39 5.14 3.54 3.35 3.01 2.72 2.60 2.51 2.49 2.42 2.14 1.97 1.84 1.63 1.43 1.32 1.24 1.19 1.18 1.15 1.09 1.04 1.01 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:x2-y2 D:yz P:z D:x2-y2 D:yz P:z P:y D:xz P:z P:y D:xy D:xz P:y D:yz P:y P:z P:y D:xz D:yz D:z2 P:x P:y D:xy D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">1 16 16 20 50 1 4 32 85 16 46 33 1 1 51 1 21 85 41 2 2 4 46 46 5 17 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W O W W O O W O O W W O W O 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">-1.201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">6.14 5.75 5.66 4.05 3.99 3.85 3.44 2.40 2.05 2.00 1.97 1.81 1.79 1.78 1.75 1.69 1.67 1.66 1.58 1.54 1.50 1.48 1.45 1.36 1.34 1.33 1.33 1.29 1.24 1.17 1.06 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">D:yz D:yz D:yz D:yz D:xy D:xy D:z2 D:yz D:yz P:z P:z P:y P:z P:x P:z D:xy D:x2-y2 P:y D:x2-y2 P:y D:z2 D:yz P:y P:y P:y D:xy P:y P:x D:yz P:y D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 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="32">5 4 20 19 17 3 19 17 2 36 47 84 25 27 79 5 2 41 18 21 5 18 33 30 25 19 36 29 3 51 19 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W O O O O O O W W O W O W 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">-1.167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.35 4.04 3.54 2.58 2.55 2.43 2.30 2.19 2.16 2.01 1.85 1.61 1.52 1.49 1.48 1.46 1.45 1.33 1.27 1.23 1.20 1.15 1.13 1.13 1.10 1.07 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:yz D:yz D:xy D:z2 D:x2-y2 D:xz D:xz D:xy D:xz P:y D:z2 D:x2-y2 D:yz D:z2 P:x D:xy P:z D:yz D:z2 D:x2-y2 P:y P:y D:yz P:z D:xz D:x2-y2 D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089</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 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.00 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">10 15 7 8 11 6 9 14 12 87 13 13 12 14 60 15 78 102 6 9 77 58 9 58 15 12 10 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W O W W W W O W O Tc W W O O W O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.18 8.08 5.94 3.91 3.47 3.18 3.15 2.35 2.35 2.02 1.91 1.90 1.78 1.73 1.71 1.64 1.57 1.46 1.35 1.25 1.24 1.09</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:xz P:y D:xz P:x D:xz D:z2 D:xz D:x2-y2 D:x2-y2 D:xy P:x P:x P:y P:x P:x D:x2-y2 P:z D:xy D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 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="22">18 19 4 75 3 79 19 19 18 19 2 18 75 41 53 94 83 17 26 5 3 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W O W W W W W W 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">-1.125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.44 5.25 4.07 3.36 3.32 3.32 3.02 2.98 2.58 2.49 2.23 2.04 1.77 1.45 1.43 1.38 1.38 1.35 1.34 1.33 1.33 1.29 1.22 1.13 1.08 1.05 1.02 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:x2-y2 D:xz D:xz D:xz D:xy D:x2-y2 D:xz D:z2 D:xy D:xz D:xy D:x2-y2 P:y P:z P:x P:x D:xy P:x D:xy D:yz D:x2-y2 P:x P:x D:z2 P:x P:y D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 1.00 1.00 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.00 1.33 1.33 1.00 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">12 10 7 15 15 7 103 102 10 12 103 103 89 57 54 87 8 69 14 15 102 78 57 103 23 57 15 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W Tc Tc W W Tc Tc O O O O W O W W Tc O O Tc O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.116</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">6.03 4.83 4.54 4.34 3.66 3.43 3.38 3.22 2.94 2.75 2.34 2.18 1.82 1.67 1.61 1.57 1.56 1.55 1.36 1.29 1.26 1.25 1.21 1.18 1.15 1.14 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">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz P:z D:xz P:y D:xy D:xz D:yz D:xy P:y D:x2-y2 D:z2 D:z2 D:xy D:xy D:yz P:y P:x D:z2 P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -4.492 -4.492 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 1.00 1.00 1.00 1.00 1.33 1.00 1.33 1.00 0.80 0.80 1.00 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">101 100 101 100 100 44 101 40 100 20 5 101 35 2 16 20 1 5 20 94 21 1 42 83 26 95 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc Tc Tc Tc O Tc O Tc W W Tc O W W W W W W O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.048</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">4.00 3.68 3.61 2.60 2.44 2.15 1.84 1.82 1.71 1.53 1.47 1.35 1.32 1.22 1.22 1.20 1.20 1.15 1.15 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">D:xy D:xy D:xz D:z2 D:xz D:x2-y2 D:x2-y2 D:xy D:xz D:xy P:y D:z2 P:x D:xy D:z2 P:y P:z D:xz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">13 5 20 17 102 2 102 19 2 11 24 8 62 17 9 64 55 18 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W Tc W Tc W W W O W O W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.045</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">6.23 5.55 5.12 4.97 2.36 2.31 2.28 2.27 2.17 2.13 2.10 2.02 1.99 1.68 1.67 1.66 1.58 1.41 1.21 1.19 1.16 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">D:z2 D:xy D:z2 D:xy D:yz D:xz D:yz D:xz P:x P:y P:x P:z D:x2-y2 D:x2-y2 P:z P:y D:z2 D:yz P:y P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</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 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 11 11 6 15 11 10 6 88 67 77 99 12 8 66 97 9 14 91 88 77 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W O O O O W W 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">-1.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">5.97 4.07 3.57 2.87 2.69 2.04 2.04 2.02 1.73 1.67 1.66 1.58 1.50 1.37 1.21 1.19 1.13 1.09 1.09 1.05 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">D:xy D:xz D:yz D:x2-y2 D:xy D:xz P:x P:y D:xz D:xz D:z2 D:yz D:z2 D:xz D:x2-y2 D:yz P:x P:x D:x2-y2 D:x2-y2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.00 1.00 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">19 4 14 18 13 18 79 75 19 3 8 10 17 102 102 8 41 62 8 2 94 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W O O W W W W W Tc Tc W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">9.99 3.77 3.77 2.89 2.35 2.20 2.11 2.07 1.89 1.82 1.71 1.61 1.56 1.54 1.53 1.53 1.22 1.22 1.21 1.18 1.14 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 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xy D:xz P:x D:xz D:x2-y2 D:yz P:z P:x D:xz D:xy D:xy D:yz P:z P:x D:xy D:xz D:xy D:yz P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 4.055 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.00 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">4 3 3 41 20 18 14 26 34 2 5 17 9 42 26 9 4 19 3 30 3 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W W W O O W W W W O O W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">5.40 5.14 3.87 3.85 3.25 3.16 2.95 2.91 2.04 2.00 1.97 1.67 1.61 1.53 1.51 1.50 1.46 1.39 1.35 1.27 1.26 1.16 1.10 1.09 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">D:x2-y2 D:z2 D:xz D:z2 D:xy D:x2-y2 D:xy D:xz P:y D:xy D:xy P:x P:z P:z P:z P:y D:yz D:xz P:x P:x P:y P:y D:yz D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</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 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 11 6 6 11 11 7 11 77 15 13 88 99 88 66 67 10 12 77 96 97 91 14 10 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W O W W O O O O O 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">-1.016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.00 3.56 3.48 3.34 3.11 2.84 2.54 2.16 2.01 2.00 1.91 1.91 1.55 1.54 1.52 1.43 1.24 1.17 1.12 1.11 1.07 1.06 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:xz D:z2 D:x2-y2 D:yz D:xy D:yz D:yz D:z2 D:xz D:yz D:xy D:z2 P:x D:xy D:xy D:z2 P:z P:z P:y D:x2-y2 D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">4 1 2 19 16 4 20 5 3 18 17 3 41 4 1 16 50 30 33 3 3 5 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W O W W W O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.49 3.92 3.75 3.73 3.08 3.02 2.81 2.63 2.53 2.15 1.92 1.89 1.74 1.61 1.57 1.48 1.45 1.45 1.44 1.37 1.33 1.32 1.31 1.30 1.30 1.28 1.18 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:yz D:xy D:xy D:yz D:x2-y2 D:yz D:yz D:yz D:yz P:x D:xy P:x D:xz P:y D:yz D:x2-y2 P:y P:z D:z2 P:y D:z2 P:y D:xz P:z D:yz D:z2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</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 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">14 7 13 10 8 9 15 8 12 60 9 62 8 23 13 12 86 54 9 64 14 70 12 70 7 12 93 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W O W O W O W W O O W O W O W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.41 5.13 4.71 4.01 2.85 2.79 2.77 2.12 2.08 1.98 1.97 1.79 1.73 1.69 1.55 1.54 1.48 1.44 1.39 1.39 1.35 1.32 1.31 1.31 1.26 1.13 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 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:x2-y2 D:xz D:xz P:y D:xz D:xz D:z2 D:xy D:yz P:z D:yz D:xz P:x D:xy P:z D:yz P:x P:x D:xy S P:y D:z2 D:yz P:x P:x D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 0.790 -9.089 -4.492 -6.681 -9.089 -9.089 -4.492 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 1.33 0.80 1.00 0.80 1.00 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.00 1.33 0.80 1.00 1.33 1.33 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">9 8 14 13 90 8 103 13 103 10 59 15 10 38 7 64 12 81 65 13 102 93 15 103 68 86 8 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W O W Tc W Tc W O W W O W O W O O W Tc O W Tc O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.52 3.76 3.49 3.01 2.95 2.94 2.79 2.28 2.24 2.23 2.10 1.80 1.66 1.47 1.38 1.38 1.32 1.29 1.24 1.19 1.17 1.14 1.12 1.05 1.04 1.03 1.01 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:x2-y2 D:xy D:yz D:yz D:xz D:z2 D:z2 D:xz D:xz D:z2 D:x2-y2 D:yz D:z2 D:x2-y2 P:x D:xy D:z2 D:xz P:y P:x D:x2-y2 P:z P:x D:x2-y2 P:x D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -6.681 -4.492 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.00 1.33 1.00 0.80 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">12 15 14 9 103 7 11 7 10 10 7 10 6 102 54 103 15 102 57 23 8 89 38 9 60 6 99 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W Tc W W W W W W W W Tc O Tc W Tc O O W O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">4.27 3.19 2.97 2.86 2.76 2.66 2.44 2.41 2.36 2.35 2.25 2.24 1.66 1.60 1.56 1.55 1.54 1.49 1.42 1.40 1.30 1.26 1.25 1.23 1.14 1.14 1.07 1.07 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:xz D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:z2 D:x2-y2 D:z2 D:z2 D:xy D:x2-y2 D:yz D:yz P:y D:xy D:z2 D:z2 D:xz P:y P:x P:z P:x D:x2-y2 P:z P:z D:xz D:xy D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</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 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 20 2 4 16 19 5 18 1 16 16 17 5 3 51 20 2 3 5 22 27 31 33 19 28 32 17 17 4 18</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 W W W W O O O O W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.783</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">4.60 3.71 3.22 2.95 2.92 2.71 2.58 2.30 2.25 2.22 2.07 2.03 1.90 1.79 1.78 1.71 1.68 1.54 1.38 1.31 1.31 1.30 1.21 1.21 1.17 1.10 1.08 1.07 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:xz D:xy D:yz D:xz D:xz D:xz D:xy D:xy D:xy D:xz D:yz D:xy P:z D:xy D:yz D:x2-y2 D:yz D:xy P:z P:x P:x P:y D:xy P:x P:y D:xz D:z2 D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -6.681 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</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 1.00 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">102 7 8 12 8 10 6 103 102 103 15 13 93 8 13 102 10 15 82 72 81 74 11 38 92 11 11 9 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc W W W W W W Tc Tc Tc W W O W W Tc W W O O O O W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">10.78 7.84 7.26 6.52 3.63 3.57 3.40 3.39 3.39 2.68 2.45 2.44 2.16 2.02 2.02 2.00 1.89 1.61 1.57 1.24 1.16 1.11</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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:x2-y2 D:xz D:xy P:z D:xy P:x D:z2 P:y P:z P:x D:xz D:xz P:z D:xz P:y P:x P:x P:x D:x2-y2 D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 4.055 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 8 13 9 59 13 68 13 90 64 86 8 9 49 103 93 65 81 59 13 8 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W O W O O O W W O Tc O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.708</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">7.15 6.28 5.89 5.28 4.06 3.36 3.20 2.87 2.61 2.60 2.48 2.30 1.95 1.86 1.74 1.71 1.70 1.67 1.65 1.60 1.48 1.37 1.35 1.31 1.18 1.17 1.16 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 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:xz D:xy D:x2-y2 D:z2 P:x D:x2-y2 P:y P:z P:z D:xz P:y P:y D:yz D:xz P:x P:z P:x D:x2-y2 D:xy P:x P:x D:z2 D:xy D:yz D:z2 D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 4.055 -6.681 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 1.00 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">17 20 5 2 100 95 100 24 55 44 100 40 35 2 2 35 84 21 17 100 55 47 20 17 5 17 101 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W Tc O Tc O O O Tc O O W W O O O W Tc O O W W W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="18">21.53 21.36 3.95 2.39 2.30 -2.02 1.70 1.67 1.65 1.54 1.51 -1.47 1.42 1.41 1.39 1.31 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">2 2 1 3 3 2 1 1 1 1 1 2 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S D:xz S S S P:x D:xz D:xy D:xy D:z2 S D:x2-y2 D:x2-y2 D:xz D:xz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-2.078 -2.078 -6.681 0.215 0.215 0.790 -9.089 -4.492 -6.681 -4.492 -4.492 0.790 -4.492 -6.681 0.031 -4.492 1.232 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 0.00 0.00 0.00 1.33 0.80 1.00 0.80 0.80 0.00 0.80 1.00 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">109 108 103 109 108 103 38 10 103 15 7 101 12 103 109 13 18 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs Cs Tc Cs Cs Tc O W Tc W W Tc W Tc Cs W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.589</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">4.35 3.95 3.37 2.55 2.49 2.36 2.30 2.30 2.07 1.76 1.69 1.66 1.65 1.54 1.54 1.44 1.44 1.43 1.41 1.36 1.28 1.25 1.24 1.23 1.20 1.10 1.09 1.09 1.08 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 2 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:z2 D:z2 D:x2-y2 D:yz D:yz P:x D:xy D:xz P:z D:yz D:z2 D:xz P:y D:xz D:yz D:yz S D:xy P:z D:yz D:yz P:y S D:z2 D:x2-y2 D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -2.078 -4.492 -9.089 -4.492 -4.492 -9.089 -2.078 -4.492 -4.492 -4.492 -6.681</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 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.00 1.00 0.80 1.33 0.80 0.80 1.33 1.00 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">11 12 7 8 6 12 13 6 10 13 60 10 14 91 9 15 15 92 7 8 102 108 7 61 15 14 96 109 6 9 11 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W O W W O W W W O W W Tc Cs W O W W O Cs W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.544</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">10.74 8.80 8.70 4.98 3.06 2.86 2.56 2.48 1.99 1.92 1.92 1.56 1.46 1.36 1.35 1.33 1.14 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 2 2 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz S S D:xy P:z D:x2-y2 S S P:x D:xz D:xz D:xy D:xy P:y D:x2-y2 P:z D:xz D:xy D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -2.078 -2.078 -6.681 -9.089 -6.681 0.215 0.215 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 0.031 -9.089 0.031 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 1.00 1.33 1.00 0.00 0.00 1.33 0.80 0.80 0.80 0.80 1.33 0.00 1.33 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">103 108 109 103 38 103 108 109 38 14 9 15 14 38 108 63 109 9 13 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Cs Cs Tc O Tc Cs Cs O W W W W O Cs O Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">12.01 9.46 7.35 6.46 6.04 3.72 2.95 2.73 2.51 2.37 1.84 1.69 1.56 1.46 1.36 1.13 1.12 1.11 1.08 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 2 2 1 1 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:x2-y2 D:xz S S D:z2 D:xy P:y P:x D:x2-y2 D:xz D:z2 P:z D:xy D:yz D:x2-y2 D:yz P:x D:xy P:x D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -2.078 -2.078 -4.492 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.00 1.00 0.80 1.00 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">103 103 103 109 108 7 103 69 56 12 10 14 56 15 12 7 9 69 12 89 9 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc Cs Cs W Tc O O W W W O W W W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.165</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="13">21.89 21.65 5.56 4.33 3.15 2.79 2.12 1.98 1.66 1.31 1.29 1.18 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">2 2 1 1 1 1 1 1 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S D:z2 D:x2-y2 D:z2 D:x2-y2 D:xz D:xz P:y P:z P:y P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-2.078 -2.078 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -0.436 -0.436 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">108 109 102 102 103 103 102 103 109 108 74 82 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Cs Cs Tc Tc Tc Tc Tc Tc Cs Cs O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="17">10.37 8.96 8.93 8.28 4.63 4.00 3.76 2.28 2.26 1.90 1.83 1.74 1.35 1.23 1.22 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 2 1 2 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 S D:x2-y2 S D:xz P:y P:z D:xy D:xy D:z2 D:xy D:z2 D:xz P:z P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -2.078 -6.681 -2.078 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.00 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">102 109 102 108 102 74 82 102 15 13 8 10 10 89 57 7 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Cs Tc Cs Tc O O Tc W W W W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.129</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">11.24 5.35 3.74 2.95 2.71 2.49 2.46 2.36 2.08 1.97 1.78 1.70 1.70 1.64 1.52 1.51 1.50 1.47 1.44 1.44 1.36 -1.30 1.29 1.24 1.18 1.16 1.14 1.11 1.08 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 1 3 3 1 2 1 1 1 1 1 1 2 2 1 1 1 1 3 1 3 2 1 2 1 1 1 1 1 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S D:yz S D:yz D:xy S D:xy D:z2 D:xz S S D:x2-y2 S P:x D:x2-y2 S D:xy S S D:yz S P:y P:y D:yz D:xy D:xz S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">0.790 -5.054 1.232 1.232 -4.492 2.471 -4.492 -4.492 -6.493 -4.492 -4.492 -4.492 -2.078 -5.688 -4.492 -14.028 -9.089 -4.492 1.232 -4.492 1.232 0.790 -4.492 -5.688 -9.089 -9.089 -4.492 -4.492 -4.492 1.232 -9.089 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 2.00 0.00 0.00 0.80 0.00 0.80 0.80 1.00 0.80 0.80 0.80 1.00 2.00 0.80 2.00 1.33 0.80 0.00 0.80 0.00 0.00 0.80 2.00 1.33 1.33 0.80 0.80 0.80 0.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">100 100 19 4 16 105 1 18 105 2 4 18 108 19 17 106 29 16 16 3 17 103 19 4 31 46 17 1 3 1 52 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc Tc W W W H W W H W W W Cs W W P O W W W W Tc W W O O W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">20.20 10.12 5.49 5.24 2.85 2.70 2.02 2.02 1.86 1.69 1.63 1.60 1.58 1.47 1.46 -1.43 1.40 1.33 1.21 1.16 1.14 1.12 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 1 2 1 1 3 1 1 3 3 1 1 1 1 1 2 1 3 1 3 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S D:xy S D:xz D:xy S S D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 P:x P:x S D:xz S D:x2-y2 D:xz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">0.790 -5.054 2.471 -6.493 -4.492 1.232 -4.492 -4.492 1.232 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 2.224 -9.089 1.232 -4.492 1.232 -4.492 -4.492 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 2.00 0.00 1.00 0.80 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.00 1.33 0.00 0.80 0.00 0.80 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">100 100 105 105 18 19 18 2 4 17 16 3 1 1 3 106 29 2 3 16 17 17 1 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc H H W W W W W W W W W W W P 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">0.019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">25.63 10.32 4.39 3.90 3.84 3.75 3.42 3.36 2.75 2.62 2.50 2.38 -2.05 1.69 -1.58 1.57 1.48 1.43 -1.35 1.27 1.26 1.18 -1.13 1.12 1.11 1.11 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 1 3 3 3 2 3 1 3 3 3 3 2 2 1 2 2 2 2 2 1 1 2 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S S S S S S S S S S P:z S D:yz D:yz S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">0.790 -5.054 1.232 1.232 1.232 2.471 1.232 -6.493 1.232 1.232 1.232 1.232 3.429 0.790 -5.054 -2.078 -2.078 -5.688 2.224 -5.688 -4.492 -4.492 0.790 -5.688 -6.681 -5.054 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 1.00 2.00 0.00 2.00 0.80 0.80 0.00 2.00 1.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">102 102 15 13 10 104 8 104 11 6 12 7 107 100 103 109 108 12 107 7 6 11 103 13 102 100 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc W W W H W H W W W W P Tc Tc Cs Cs W P W W W Tc W Tc Tc 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">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.57 5.55 5.40 4.06 3.02 2.87 2.65 2.64 2.53 2.06 1.98 1.97 1.55 1.49 1.39 1.18 1.14 1.13 1.08 1.07 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:yz D:z2 D:yz D:z2 D:z2 D:yz D:x2-y2 D:x2-y2 D:z2 S D:yz D:xy D:x2-y2 P:z P:z D:x2-y2 P:y P:z D:yz P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 0.790 -4.492 -4.492 -4.492 -9.089 -0.504 -4.492 -9.089 -9.089 -4.492 -9.089 -0.504 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 1.33 0.00 0.80 1.33 1.33 0.80 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">4 1 19 16 5 16 5 4 20 20 100 19 2 1 36 4 16 47 21 20 41 19 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W Tc W W W O W W O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.126</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">7.02 5.94 5.62 3.85 3.08 3.05 2.62 1.83 1.79 1.69 1.67 1.66 1.61 1.37 1.32 1.26 1.23 1.23 1.20 1.12 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S D:yz D:yz D:z2 D:z2 S S S D:yz S P:y D:yz D:xy P:z S P:y D:yz S D:z2 D:xz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.790 -4.492 -4.492 -4.492 -4.492 -5.054 -14.028 2.471 -4.492 -6.493 -9.089 -4.492 -4.492 -9.089 3.429 -9.089 -4.492 1.232 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.80 0.80 0.80 0.80 2.00 2.00 0.00 0.80 1.00 1.33 0.80 0.80 1.33 0.00 1.33 0.80 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">102 11 6 14 9 102 107 104 9 104 88 15 8 77 107 67 10 15 15 8 14 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc W W W W Tc P H W H O W W O P O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="38">11.74 11.18 6.62 6.36 5.46 5.00 4.03 3.94 -3.92 3.59 3.52 3.38 -3.27 3.15 2.87 -2.67 2.49 2.46 2.34 2.24 2.18 2.09 1.93 1.88 1.85 1.71 1.67 1.61 1.57 1.29 1.26 1.23 1.18 1.13 1.11 1.09 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">3 3 2 2 3 3 2 2 2 1 2 2 2 2 2 2 2 1 3 2 1 1 2 3 3 2 1 2 2 2 3 3 2 1 3 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S S S S S P:x S S S P:z S S P:y S S S P:y S S S S S P:z S P:x S S S S S S S P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 1.232 0.790 0.790 2.224 -6.493 2.471 0.790 2.224 -5.688 -5.688 2.224 0.790 -5.054 1.232 -0.436 -5.054 -5.054 -5.688 1.232 1.232 -0.436 -5.054 -0.436 -5.688 -5.688 1.232 1.232 2.471 -6.493 1.232 -0.436 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 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 0.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">5 20 5 20 7 12 103 102 107 105 105 101 106 7 12 106 100 103 2 108 101 100 2 17 1 109 102 109 17 1 16 14 104 104 19 108 9 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W W Tc Tc P H H Tc P W W P Tc Tc W Cs Tc Tc W W W Cs Tc Cs W W W W H H W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">3.78 3.78 3.43 3.30 2.91 2.72 2.66 2.58 2.42 2.36 2.20 2.14 1.90 1.83 1.77 1.77 1.72 1.58 1.55 1.45 1.40 1.24 1.18 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">D:z2 D:x2-y2 D:x2-y2 D:z2 D:xz D:xy D:xy D:xy D:z2 D:yz D:z2 D:x2-y2 D:xy D:xz P:x D:z2 D:xz D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 11 6 15 8 12 8 11 9 7 10 10 13 7 62 14 13 13 7 12 15 11 14 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W 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">0.316</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="31">4.97 4.81 4.78 4.39 4.24 3.76 3.63 3.57 3.54 3.33 3.16 3.15 2.99 2.93 2.81 2.64 2.36 2.29 2.13 2.07 -1.96 1.59 1.49 1.26 1.22 1.20 1.18 1.09 1.05 1.05 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 2 1 3 1 1 2 3 2 1 2 3 2 2 2 3 1 2 2 2 3 2 3 2 3 1 1 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S S S S S S S P:x S P:z S S S D:x2-y2 D:yz S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.232 1.232 0.790 -6.493 1.232 -5.054 -5.054 -5.688 1.232 2.471 -5.054 -5.688 1.232 -5.688 -5.688 -5.688 1.232 -6.493 -5.688 2.471 2.224 1.232 -0.436 1.232 -5.688 1.232 -4.492 -4.492 1.232 1.232 -0.773</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 0.00 1.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 1.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">7 12 102 105 1 101 100 1 16 105 102 16 2 7 12 2 17 104 17 104 107 4 109 18 4 6 4 2 11 3 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W Tc H W Tc Tc W W H Tc W W W W W W H W H P W Cs 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">0.407</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">6.77 5.75 5.69 5.69 5.40 5.23 4.89 4.46 4.05 3.28 3.14 3.10 2.70 2.56 2.24 1.99 1.93 -1.63 1.54 -1.46 -1.25 1.19 1.16 1.14 1.14 -1.09 -1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 3 3 2 3 1 1 2 3 1 2 3 2 3 2 2 2 1 1 2 2 2 2 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S S S S S S S S S P:x D:xz P:y S S S S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.493 0.215 1.232 2.471 0.215 -5.054 -5.054 -5.688 1.232 -5.054 -5.688 1.232 -5.688 1.232 0.790 0.790 -5.688 -0.773 0.031 -0.436 -2.078 -5.688 0.790 1.232 1.232 -2.078 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">104 109 6 104 108 101 102 6 8 103 8 11 11 13 102 101 13 102 109 109 109 10 103 10 4 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">H Cs W H Cs Tc Tc W W Tc W W W W Tc Tc W Tc Cs Cs Cs W Tc W W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="41">7.16 5.74 4.71 4.11 3.77 3.68 3.54 3.33 2.72 2.45 2.41 2.23 -2.21 2.18 2.08 2.06 1.95 1.86 1.86 1.79 1.75 1.72 1.66 1.59 -1.49 -1.47 1.46 1.39 1.37 1.35 1.34 1.34 1.31 1.28 1.23 1.21 1.14 1.12 -1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="41">3 3 2 3 1 3 2 1 3 3 2 2 2 1 3 3 1 1 2 2 1 2 3 1 2 2 2 2 3 1 1 1 3 2 2 1 1 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="41">S S S S D:x2-y2 S S D:xy S S S S P:y D:x2-y2 S S D:yz D:z2 S S D:yz S S D:z2 P:z P:y P:z S S P:x D:xz D:yz S P:y P:z D:x2-y2 P:x S P:z P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="41"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 -4.492 1.232 -5.688 -4.492 1.232 1.232 -5.688 -5.688 2.224 -4.492 1.232 1.232 -4.492 -4.492 -5.688 -5.688 -4.492 -5.688 1.232 -4.492 2.224 2.224 -0.436 -5.688 1.232 -9.089 -4.492 -4.492 1.232 -0.436 -0.436 -4.492 -9.089 1.232 2.224 -0.436 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="41">0.00 0.00 2.00 0.00 0.80 0.00 2.00 0.80 0.00 0.00 2.00 2.00 0.00 0.80 0.00 0.00 0.80 0.80 2.00 2.00 0.80 2.00 0.00 0.80 0.00 0.00 0.00 2.00 0.00 1.33 0.80 0.80 0.00 0.00 0.00 0.80 1.33 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="41">11 6 11 16 3 1 6 18 12 19 19 16 107 1 4 15 1 18 4 12 16 1 7 4 107 106 109 15 10 30 3 19 8 108 108 19 53 13 106 109 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="41">W W W W W W W W W W W W P W W W W W W W W W W W P P Cs W W O W W W Cs Cs W O W P Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.512</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">10.04 9.61 7.72 7.17 4.68 4.50 4.25 4.04 3.90 3.85 3.52 3.42 3.31 3.06 -2.95 2.84 -2.13 1.39 1.26 1.26 1.25 1.11 1.11 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 3 2 2 3 3 3 3 2 2 2 2 2 2 2 1 2 3 3 1 3 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S S S S P:x P:x S P:y D:x2-y2 P:z S S D:xy S D:z2 S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -0.436 -0.436 -5.688 2.224 -4.492 2.224 1.232 1.232 -4.492 1.232 -4.492 1.232 -0.436 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">16 1 16 1 20 2 17 5 2 17 20 108 109 5 106 3 106 11 6 18 19 18 4 109 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W Cs Cs W P W P W W W W W W Cs P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">8.88 7.78 7.58 6.84 6.35 5.94 5.76 5.67 5.47 4.92 4.05 4.05 3.69 3.62 -3.36 3.08 2.60 2.59 2.43 2.33 2.21 2.20 2.00 1.90 -1.67 1.60 1.41 -1.37 -1.35 1.34 1.21 -1.13 1.04 -1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 3 3 2 2 3 2 2 3 2 3 2 2 3 3 2 2 3 3 3 3 2 2 2 1 2 2 2 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">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 P:x S S P:y P:z S S P:x S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 1.232 -5.688 -5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 2.224 1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 0.790 2.224 -5.688 -5.054 2.224 2.224 -5.688 -5.688 -5.485 -5.688 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 1.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">17 2 4 19 13 4 17 8 19 2 10 13 15 8 106 14 9 10 15 7 18 3 12 100 107 14 100 107 107 9 7 106 12 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W W W W W W W P W W W W W W W W Tc P W Tc P P W W P W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">10.02 7.91 7.02 6.21 5.16 4.13 3.88 3.20 -3.19 3.07 2.99 2.78 2.49 2.45 2.34 2.14 2.08 2.07 1.96 1.79 1.77 1.55 1.49 1.45 1.44 1.34 1.20 1.16 -1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 2 3 3 2 2 3 3 2 3 2 1 2 3 2 3 2 2 2 2 1 1 2 2 3 3 3 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S P:z S P:y D:x2-y2 S S S S S P:z S S D:yz D:yz S S S S S S P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 1.232 -5.688 -5.688 1.232 1.232 2.224 1.232 -0.436 -4.492 -5.688 1.232 -5.688 0.215 -5.688 -0.436 -2.078 -5.688 -4.492 -4.492 -5.688 -2.078 1.232 1.232 1.232 1.232 2.224 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 2.00 0.00 2.00 0.00 2.00 0.00 1.00 2.00 0.80 0.80 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">10 10 6 11 6 11 13 7 107 17 109 1 13 12 7 108 17 108 108 12 1 16 4 109 5 4 1 15 107 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W P W Cs W W W W Cs W Cs Cs W W W W Cs W W W W P Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">12.68 10.46 7.30 5.22 4.78 4.15 3.91 3.83 3.34 3.25 -2.82 2.44 2.21 2.18 2.03 2.02 2.02 1.95 1.88 1.83 1.72 1.69 1.62 1.55 1.51 -1.35 1.30 1.15 1.12 -1.07 -1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 2 3 3 2 2 3 3 2 3 2 3 2 2 2 3 3 1 2 3 2 2 1 3 1 2 1 3 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S P:y S S S S S S D:xy S S P:y S S S D:x2-y2 P:x D:x2-y2 S P:x P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 1.232 -5.688 -5.688 1.232 0.215 -5.688 1.232 2.224 1.232 -5.688 -5.688 -5.688 1.232 1.232 -4.492 -5.688 0.215 -0.436 0.790 -5.054 1.232 -4.492 2.224 0.031 1.232 -0.436 -0.773 -0.773 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.80 2.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">15 15 8 2 8 2 10 109 10 13 107 19 19 13 17 11 17 2 11 108 108 100 101 20 15 106 108 12 109 102 102 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W Cs W W P W W W W W W W W Cs Cs Tc Tc W W P Cs W Cs Tc Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">5.87 5.54 4.52 3.54 3.27 3.25 3.15 2.44 1.79 1.79 1.71 1.64 1.57 1.56 1.50 1.47 1.45 1.42 1.41 1.37 1.30 1.28 1.25 1.25 1.19 1.17 1.12 1.10 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 2 2 1 1 1 1 1 3 1 3 1 3 3 1 1 1 1 1 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:x2-y2 D:xy D:xy D:xz D:xz D:xz D:x2-y2 D:xy S S P:x P:x P:x D:yz D:xz S P:x S P:x S S P:y D:z2 P:x P:x D:z2 D:xy P:y P:x D:x2-y2 P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -5.688 -9.089 -9.089 -9.089 -4.492 -4.492 1.232 -9.089 1.232 -9.089 1.232 1.232 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -0.504 -9.089 -4.492 -0.504 -24.020</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 2.00 2.00 1.33 1.33 1.33 0.80 0.80 0.00 1.33 0.00 1.33 0.00 0.00 1.33 0.80 1.33 1.33 0.80 0.80 0.00 1.33 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">3 18 2 17 18 2 17 17 2 17 84 31 30 3 3 4 52 17 53 2 19 43 2 29 22 18 3 2 43 2 17 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W O O O W W W O W O W W O W O O W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.711</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">5.56 5.20 2.99 2.81 2.51 2.38 2.37 2.26 2.25 2.12 1.93 1.72 1.53 1.52 1.50 1.48 1.46 1.45 1.37 1.36 1.34 1.32 1.29 1.18 1.16 1.15 1.05 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 2 2 3 1 1 1 1 3 2 1 2 3 1 3 1 2 3 3 3 1 2 1 2 2 1 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz S S S D:x2-y2 D:yz D:yz D:z2 S P:y D:xy S S D:x2-y2 S D:x2-y2 S S S S P:z P:z P:y S S D:z2 S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -5.688 -5.688 1.232 -4.492 -4.492 -4.492 -4.492 1.232 -0.436 -4.492 -5.688 1.232 -4.492 1.232 -4.492 -5.688 1.232 1.232 1.232 -9.089 -0.436 -9.089 -5.688 -5.688 -4.492 -2.078 0.215 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 2.00 2.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 2.00 0.00 0.80 0.00 0.80 2.00 0.00 0.00 0.00 1.33 0.00 1.33 2.00 2.00 0.80 1.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">6 11 13 8 13 13 9 14 14 8 108 8 17 16 11 17 9 16 2 1 4 86 109 88 1 2 8 108 108 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W Cs W W W W W W W W W W O Cs O W W W Cs Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">8.18 7.53 4.98 4.32 3.82 3.65 3.58 3.44 3.41 3.38 3.29 3.18 3.09 2.62 2.45 2.23 2.12 1.57 1.44 1.39 1.25 1.18 1.08 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 3 2 2 3 2 2 3 2 1 1 2 2 3 1 2 2 2 1 3 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S P:y P:z S S S S S D:z2 D:x2-y2 P:y P:z S D:z2 S S S D:yz S D:xy D:xz S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.215 0.215 -0.436 -0.436 1.232 -5.688 -5.688 1.232 -5.688 0.031 0.031 -0.436 -0.436 1.232 0.031 -5.688 0.790 0.790 -4.492 1.232 0.031 0.031 -5.688 -4.492 -6.493</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.00 2.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">108 109 108 109 8 8 19 13 13 109 108 109 108 19 108 4 101 103 16 4 109 108 5 19 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs Cs Cs Cs W W W W W Cs Cs Cs Cs W Cs W Tc Tc W W Cs Cs W W H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">6.25 4.07 3.65 3.38 2.97 2.41 2.37 2.33 2.21 1.96 1.95 1.71 1.68 1.54 1.39 1.39 1.32 1.31 1.30 1.30 1.29 1.24 1.18 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 3 2 3 3 2 1 2 1 3 3 1 3 2 1 2 2 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz S S S S S D:yz S D:x2-y2 S S D:yz S S D:yz P:y S D:xy D:x2-y2 D:z2 D:z2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 1.232 -5.688 1.232 0.215 -5.688 -4.492 -5.688 -4.492 1.232 1.232 -4.492 1.232 -5.688 -4.492 -0.436 -5.688 0.031 -4.492 -4.492 -4.492 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.00 2.00 0.00 0.00 2.00 0.80 2.00 0.80 0.00 0.00 0.80 0.00 2.00 0.80 0.00 2.00 0.00 0.80 0.80 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">16 1 4 4 5 109 5 6 11 20 11 20 11 19 1 14 109 19 108 4 1 5 20 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W Cs W W W W W W W W W W Cs W Cs W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">5.14 4.61 3.85 3.55 3.06 2.81 2.78 2.59 2.36 1.90 1.85 1.80 1.69 1.53 1.45 1.44 1.27 1.13 1.09 1.08 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:x2-y2 D:yz D:z2 D:x2-y2 D:z2 D:yz S D:z2 D:x2-y2 P:y D:xy D:x2-y2 D:yz P:y D:xy P:z P:y D:z2 P:y S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -0.504 -4.492 -9.089 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.00 0.80 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">19 16 1 1 1 4 16 5 16 19 79 16 3 4 36 2 41 19 19 29 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W O W W W O W O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.830</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">6.88 4.39 4.23 3.77 3.47 3.24 3.14 3.00 2.70 2.47 2.38 2.32 2.26 2.25 2.10 1.94 1.91 1.77 1.73 1.69 1.57 1.57 1.44 1.21 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 2 3 3 2 2 2 1 3 3 1 3 2 1 1 3 1 1 2 1 2 2 3 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y S S S P:z S S D:yz S S D:yz S P:x D:x2-y2 D:z2 S D:z2 D:z2 S D:xy S P:x S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-0.436 -5.688 1.232 1.232 -0.436 -5.688 -5.688 -4.492 1.232 0.215 0.031 1.232 -0.436 -4.492 -4.492 1.232 -4.492 -4.492 -5.688 0.031 -5.688 -0.436 1.232 -4.492 -2.078 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.80 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.80 0.80 2.00 0.00 2.00 0.00 0.00 0.80 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 16 16 6 109 6 20 9 20 108 109 1 109 1 10 7 15 4 1 109 7 108 11 11 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs W W W Cs W W W W Cs Cs W Cs W W W W W W Cs W Cs W W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">9.67 8.90 5.58 4.91 4.54 3.48 3.13 3.03 2.31 2.22 2.16 2.02 1.70 1.70 1.68 1.41 1.38 1.36 1.27 1.27 1.26 1.19 1.14 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 P:y P:z D:yz P:y P:z D:yz P:z P:z D:z2 P:y P:y P:z S P:z D:x2-y2 P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -0.504 -0.504 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -24.020 -0.504 -4.492 -9.089 -0.504 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.00 0.00 0.80 1.33 1.33 0.80 1.33 1.33 1.33 2.00 0.00 0.80 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">20 5 4 20 19 5 47 21 5 5 20 4 33 41 19 50 79 51 25 4 4 32 19 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O W W W W O O W 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">0.912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">3.73 3.49 3.44 3.21 3.03 2.82 2.82 2.61 2.51 2.44 2.44 2.44 2.33 2.30 2.26 2.20 2.19 2.03 1.96 1.75 1.71 1.57 1.47 1.22 1.10 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 1 3 1 3 2 2 2 3 3 2 2 3 3 3 3 2 3 1 1 1 3 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S D:z2 S D:yz S S S S S S S P:x S S S S S S D:yz D:x2-y2 D:yz S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -5.688 -4.492 1.232 -4.492 1.232 -5.688 -5.688 -5.688 1.232 0.215 -5.688 -0.436 1.232 1.232 1.232 1.232 -5.688 1.232 -4.492 -4.492 -4.492 1.232 -5.688 -5.688 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 0.80 0.00 0.80 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.80 0.80 0.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">8 17 10 8 11 7 12 15 2 12 108 7 108 2 17 15 14 14 13 6 10 16 10 10 13 4 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W Cs W Cs 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">0.916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.71 5.64 3.67 2.73 2.72 2.50 2.24 2.21 2.15 2.09 2.06 2.05 1.82 1.72 1.71 1.64 1.63 1.59 1.55 1.53 1.49 1.46 1.29 1.23 1.21 1.18 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 1 3 1 2 1 1 2 1 2 1 2 1 2 3 3 2 1 3 3 3 2 1 1 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S D:z2 S D:z2 S D:z2 D:yz S D:x2-y2 S D:z2 S P:y P:x S S S D:yz S S S S D:x2-y2 P:y D:yz S P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">0.215 -4.492 0.215 -4.492 -5.688 -4.492 -4.492 -5.688 -4.492 -5.688 -4.492 -5.688 -9.089 -0.436 1.232 1.232 -5.688 -4.492 1.232 1.232 1.232 -5.688 -4.492 -9.089 -4.492 1.232 -0.504 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.80 0.00 0.80 2.00 0.80 0.80 2.00 0.80 2.00 0.80 2.00 1.33 0.00 0.00 0.00 2.00 0.80 0.00 0.00 0.00 2.00 0.80 1.33 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">109 15 108 14 13 10 9 10 15 16 9 9 78 109 9 10 11 6 16 1 13 1 10 99 13 12 15 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs W Cs W W W W W W W W W O Cs W W W W W W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">3.68 3.39 3.28 3.19 2.92 2.67 2.36 2.26 2.24 2.21 2.13 2.01 1.93 1.81 1.80 1.79 1.77 1.54 1.43 1.39 1.37 1.22 1.18 1.17 1.15 1.09 1.05 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 2 2 3 2 3 1 3 1 1 2 1 2 2 2 1 1 2 3 3 1 3 2 2 2 1 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S P:z S S P:y S D:x2-y2 S D:z2 D:xy S D:z2 S S S D:xy D:xz S S S D:yz S S S S D:xz S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 1.232 -0.436 -5.688 1.232 -0.436 1.232 -4.492 1.232 -4.492 0.031 -5.688 0.031 -5.688 -5.688 -5.688 -4.492 -4.492 -5.688 1.232 1.232 -4.492 1.232 -5.688 -5.688 -5.688 -4.492 1.232 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 2.00 0.00 2.00 2.00 2.00 0.80 0.80 2.00 0.00 0.00 0.80 0.00 2.00 2.00 2.00 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">10 10 109 15 15 108 16 15 1 10 108 6 109 1 11 16 12 12 7 6 8 16 11 14 8 9 7 14 9 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Cs W W Cs W W W W Cs W Cs 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">0.977</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">4.93 4.74 4.54 4.21 3.76 3.41 2.14 2.07 1.92 1.85 1.84 1.64 1.62 1.57 1.51 1.47 1.43 1.41 1.33 1.19 1.17 1.12 1.11 1.09 1.06 1.03 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 3 3 2 1 1 1 1 1 1 1 2 1 2 2 3 1 2 1 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:x2-y2 D:xz D:xy D:x2-y2 D:xz D:xy S S S D:xz D:xz P:x P:x P:y D:x2-y2 D:z2 S P:x S S S D:yz P:y P:x S P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 1.232 1.232 -5.688 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -5.688 -9.089 -5.688 -5.688 1.232 -4.492 -0.504 -9.089 -5.688 -9.089 -0.504 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 2.00 0.80 0.80 1.33 1.33 1.33 0.80 0.80 2.00 1.33 2.00 2.00 0.00 0.80 0.00 1.33 2.00 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">12 13 7 8 7 12 7 6 11 10 13 8 23 64 54 12 12 15 91 16 1 10 13 12 93 14 96 13 7</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 W W W 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">0.989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">6.61 6.06 5.09 3.85 3.00 2.51 2.19 1.90 1.55 1.43 1.36 1.34 1.30 1.23 1.20 1.19 1.14 1.13 1.10 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 2 1 2 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:xy D:z2 D:z2 D:yz P:y D:z2 P:x D:xy D:xy S D:yz S P:z S P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 0.031 -5.688 -4.492 -5.688 -9.089 1.232 -9.089 -9.089 -4.492</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 1.33 0.80 1.33 0.80 0.00 2.00 0.80 2.00 1.33 0.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">11 6 13 11 6 6 14 14 62 8 64 8 108 18 6 9 62 18 60 86 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W O W O W Cs 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">0.999</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="31">7.36 7.28 6.83 6.52 3.26 3.10 2.53 2.11 2.00 1.95 1.92 1.68 1.65 1.58 1.56 1.53 1.52 1.45 1.44 1.37 1.37 1.34 1.19 1.17 1.16 1.15 1.14 -1.11 1.10 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 3 3 2 1 2 3 2 3 1 2 1 1 2 3 2 1 1 2 3 1 2 1 1 2 1 2 2 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S D:x2-y2 S S S S D:z2 S D:x2-y2 D:xy S S S D:yz D:yz S S D:x2-y2 S S D:x2-y2 S D:z2 P:y P:x S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 1.232 1.232 -5.688 -4.492 -5.688 1.232 -5.688 1.232 -4.492 -5.688 -4.492 -4.492 -5.688 1.232 -5.688 0.031 -4.492 -5.688 1.232 -4.492 -5.688 -6.493 -4.492 -5.688 -4.492 -0.436 -0.436 -5.688 1.232 2.471</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 0.00 0.00 2.00 0.80 2.00 0.00 2.00 0.00 0.80 2.00 0.80 0.80 2.00 0.00 2.00 0.00 0.80 2.00 0.00 0.80 2.00 1.00 0.80 2.00 0.80 0.00 0.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">18 18 3 3 5 14 14 9 9 20 13 4 8 20 13 8 108 9 5 8 9 2 105 19 17 4 108 108 12 2 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W W W W W Cs W W W W W H W W W Cs Cs W W H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.054</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">9.99 9.53 2.76 2.32 2.26 2.25 2.22 2.21 2.12 2.02 2.02 2.01 2.00 1.95 1.87 1.77 1.73 1.67 1.55 1.47 1.40 1.37 1.32 1.28 1.26 1.22 1.20 1.19 -1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 1 1 2 1 3 2 2 2 2 2 3 2 3 3 1 2 3 3 3 1 2 1 1 2 2 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:z2 D:yz S S S S S S S P:z S S S S D:xz S S S S D:x2-y2 S D:xy D:x2-y2 P:x S S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 1.232 -4.492 -4.492 -5.688 -6.493 1.232 -5.688 -5.688 -5.688 -5.688 -0.436 1.232 -5.688 1.232 1.232 -4.492 -5.688 1.232 1.232 1.232 -4.492 2.471 0.031 -4.492 -0.436 -5.688 1.232 -0.773 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 0.80 0.80 2.00 1.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">4 4 3 3 6 105 17 7 1 11 17 108 6 12 11 19 3 19 7 12 2 5 105 109 4 109 2 20 100 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W H W W W W W Cs W W W W W W W W W W H Cs W Cs W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">7.98 7.60 3.81 3.43 3.36 3.31 2.83 2.43 2.24 2.02 1.99 1.93 1.73 1.67 1.59 1.58 1.43 1.23 1.20 1.09 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 3 1 1 1 1 1 2 1 3 1 3 1 2 1 3 3 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S D:yz D:z2 D:xz D:x2-y2 D:xy S D:yz S D:x2-y2 S D:xy S D:yz S S P:y D:x2-y2 S P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-5.688 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 1.232 -4.492 1.232 -4.492 -5.688 -4.492 1.232 1.232 -0.436 -4.492 -5.688 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 0.00 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.00 0.80 0.00 0.80 2.00 0.80 0.00 0.00 0.00 0.80 2.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">19 19 18 20 17 5 2 4 2 5 19 4 18 2 17 18 2 109 18 5 94 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 Cs W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.129</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.01 5.09 5.06 4.76 4.59 4.26 3.50 3.46 3.45 3.24 3.13 2.84 2.62 2.50 2.10 1.97 1.85 1.67 1.60 1.58 1.44 1.31 1.22 1.21 1.18 1.12 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 2 2 2 2 2 2 2 3 2 3 3 3 2 2 1 3 3 1 3 3 1 1 2 2 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S P:y S P:z P:x P:x S S S S S S P:y D:x2-y2 S S D:z2 S S D:x2-y2 D:z2 P:z S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -0.436 -5.688 -0.436 -0.436 -0.436 1.232 -5.688 1.232 1.232 1.232 -5.688 -0.436 0.031 0.215 0.215 0.031 1.232 1.232 -4.492 -4.492 -0.436 -5.688 1.232 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 2.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">8 15 13 109 10 108 108 109 8 17 13 15 10 2 108 109 108 109 108 17 20 15 4 109 20 2 5 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W Cs W Cs Cs Cs W W W W W W Cs Cs Cs Cs Cs W W W W Cs 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">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">6.60 5.51 5.44 4.57 4.54 4.52 4.17 3.89 3.51 2.83 2.71 -2.57 -2.52 2.50 2.37 -2.28 2.23 2.16 1.94 1.93 -1.91 1.88 1.86 1.83 1.76 1.68 1.68 1.66 1.50 1.45 -1.35 1.34 1.28 1.22 1.21 1.15 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">2 2 3 3 2 2 3 3 2 3 2 1 2 2 2 2 2 1 3 1 1 3 3 2 3 2 2 2 2 2 2 1 2 3 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S S S S S S S S S S P:y S P:x S S S D:x2-y2 S S S P:z S S P:x S S S S S P:y S D:yz D:x2-y2 S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 1.232 -5.688 -5.054 0.790 -0.436 -5.688 2.224 -5.688 -6.493 1.232 -4.492 -5.054 1.232 0.215 -0.436 1.232 -5.688 -0.436 -5.688 -5.688 -5.688 0.790 -6.493 -0.436 1.232 -4.492 0.031 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 1.00 0.00 0.80 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 1.00 0.00 0.00 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">7 12 7 12 20 5 20 5 10 14 16 103 103 109 14 107 3 104 9 15 101 10 109 108 3 15 109 18 1 9 101 105 108 16 16 109 18 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W W W W W W W Tc Tc Cs W P W H W W Tc W Cs Cs W W Cs W W W Tc H Cs W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="39">5.97 5.52 4.95 4.38 3.88 3.86 3.55 3.44 2.71 2.49 2.30 2.28 2.17 2.13 2.12 2.06 1.99 1.94 1.93 1.76 1.73 1.65 1.61 1.59 1.58 1.54 1.49 1.46 1.39 1.30 1.27 1.25 1.19 -1.17 -1.10 1.09 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">1 2 2 2 2 3 2 1 3 1 3 1 2 3 3 1 3 2 2 2 2 2 2 3 3 1 1 1 1 1 3 2 3 2 2 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="39">D:z2 S P:y S S S S S S D:xz S D:z2 S S S S S S S P:z S S S S S D:x2-y2 D:xy S D:x2-y2 D:yz S S S P:z S S P:x P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">0.031 -5.688 -0.436 -5.688 -5.688 1.232 -5.688 -5.054 1.232 0.031 0.215 -4.492 -5.688 1.232 1.232 -6.493 1.232 -5.688 -5.688 -0.436 -5.688 -5.688 -5.688 1.232 1.232 0.031 -4.492 -5.054 -4.492 -4.492 1.232 -5.688 1.232 -0.436 0.790 1.232 -0.436 -0.436 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">0.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 2.00 0.00 0.00 1.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.80 2.00 0.80 0.80 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="39">109 4 108 2 5 4 6 101 5 108 108 4 14 14 2 105 8 8 3 109 10 20 11 6 3 108 2 103 1 6 20 1 12 108 101 10 108 109 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">Cs W Cs W W W W Tc W Cs Cs W W W W H W W W Cs W W W W W Cs W Tc W W W W W Cs Tc W Cs Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">8.89 5.86 4.87 4.60 3.92 3.87 3.45 2.97 2.84 2.47 2.28 2.20 1.93 1.87 1.80 1.80 1.74 1.66 1.63 1.63 1.60 1.52 1.52 1.51 1.48 1.33 1.31 1.30 1.25 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 2 2 3 2 2 2 1 3 1 3 2 3 2 1 3 2 2 1 2 3 1 1 3 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S P:z S S D:z2 S D:xy S S S S D:xz S S S D:yz S S D:x2-y2 D:x2-y2 S S S S D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -5.688 1.232 -0.436 -5.688 -5.688 0.031 1.232 0.031 1.232 -5.688 0.215 -5.688 -4.492 1.232 -5.688 -5.688 -4.492 -5.688 1.232 -4.492 0.031 1.232 -5.054 1.232 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.80 0.00 2.00 2.00 0.80 2.00 0.00 0.80 0.00 0.00 2.00 0.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">19 19 17 13 13 109 20 15 108 17 109 20 11 109 8 17 15 7 9 19 4 7 19 108 9 101 8 18 20 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W Cs W W Cs W Cs W W Cs W W W W W W W W W Cs W Tc 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">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">23.51 19.61 5.13 4.61 4.33 4.21 3.53 3.24 3.07 2.56 1.96 1.84 1.61 -1.54 1.26 -1.17 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">3 3 2 2 2 2 3 3 3 3 1 1 2 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S D:xz D:xz S S D:x2-y2 S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 1.232 -4.492 0.031 -5.688 -2.078 -4.492 -2.078 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 0.00 2.00 1.00 0.80 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">108 109 17 15 10 2 10 17 2 15 7 109 13 109 9 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Cs Cs W W W W W W W W W Cs W Cs W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.283</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.83 4.30 3.94 3.75 3.23 3.06 2.87 2.35 2.26 2.02 1.75 1.58 1.43 1.36 1.35 1.33 1.23 1.16 1.16 1.15 1.12 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 1 1 1 1 1 1 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">S S D:x2-y2 D:xy D:yz D:z2 D:x2-y2 D:xz D:x2-y2 D:yz P:y D:x2-y2 D:x2-y2 D:xy D:yz D:x2-y2 D:yz D:yz D:z2 P:x P:y P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 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 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">109 108 15 8 6 10 9 7 10 8 81 8 13 9 11 14 12 7 13 93 65 93 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs W W W W W W W W O W W W W W W W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">3.85 2.94 2.73 2.59 2.54 2.51 1.70 1.68 1.59 1.59 1.51 1.49 1.46 1.35 1.33 1.32 1.31 1.23 1.11 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 2 1 1 1 2 3 1 1 1 3 1 1 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:yz D:xy D:z2 D:yz S D:x2-y2 S D:yz D:yz D:x2-y2 S S D:x2-y2 S D:yz S D:z2 D:z2 S P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.031 -4.492 -4.492 0.031 -5.054 -4.492 -5.688 -4.492 -4.492 -4.492 -5.688 1.232 -4.492 -5.054 -4.492 1.232 -4.492 -4.492 0.790 -0.436 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.80 0.80 0.00 2.00 0.80 2.00 0.80 0.80 0.80 2.00 0.00 0.80 2.00 0.80 0.00 0.80 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">108 109 12 14 108 101 11 15 11 12 20 12 13 4 103 18 15 13 3 101 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs W W Cs Tc W W W W W W W W Tc W W W W Tc Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">6.75 4.69 4.20 3.83 3.80 3.53 2.99 2.74 2.73 2.41 2.34 2.11 2.10 2.02 1.81 1.53 1.50 1.38 1.24 1.15 1.13 1.11 1.11 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 1 2 2 1 1 2 3 2 2 2 3 1 1 3 2 3 2 1 1 2 3 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y D:yz P:z S D:xy D:yz S S S P:x S S D:xz D:xy S S S S D:x2-y2 D:xz S S S D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-0.436 0.031 -0.436 -5.688 0.031 0.031 -5.688 1.232 -5.688 -0.436 -5.688 1.232 0.031 -4.492 1.232 -5.688 1.232 -5.688 -4.492 -4.492 -5.688 1.232 -5.688 -4.492 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.80 0.00 2.00 0.00 2.00 0.80 0.80 2.00 0.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 108 109 5 109 109 20 5 7 109 12 20 108 2 7 1 12 16 1 17 19 8 6 10 8 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs Cs W Cs Cs W W W Cs W W Cs 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">1.360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">7.71 7.64 4.05 3.20 2.07 2.02 1.84 1.69 1.66 1.57 1.55 1.42 1.33 1.32 1.31 1.28 1.27 1.25 1.07 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 2 1 1 1 3 1 1 2 1 2 1 3 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:xy D:x2-y2 D:z2 S D:x2-y2 D:x2-y2 D:yz S D:yz D:yz S D:yz S D:z2 S S D:x2-y2 S P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -4.492 -4.492 0.790 -4.492 -4.492 -4.492 1.232 -4.492 -4.492 -5.688 -4.492 -5.688 -4.492 1.232 0.790 -4.492 -5.054 -9.089 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.00 0.80 0.80 2.00 0.80 2.00 0.80 0.00 0.00 0.80 2.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">109 108 109 14 14 103 20 9 8 13 11 13 6 6 11 13 15 102 5 101 49 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs W W Tc W W W W W W W W W W W Tc W Tc O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.413</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">5.11 4.52 3.67 3.65 2.58 2.49 2.44 2.42 2.25 2.24 2.14 2.08 2.06 1.94 1.92 1.81 1.74 1.62 1.53 1.40 1.39 1.38 1.36 1.30 1.26 1.16 1.13 1.08 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 2 2 2 2 3 2 3 1 2 2 3 2 1 1 3 3 1 3 1 3 2 3 1 3 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xz S S S S S S S D:x2-y2 S S S S D:xy P:y S S D:z2 S P:x S S S D:xy S D:x2-y2 P:y S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 1.232 -4.492 -5.688 -5.688 1.232 -5.688 0.031 -9.089 1.232 1.232 -4.492 1.232 -9.089 1.232 -5.688 1.232 -4.492 1.232 -4.492 -9.089 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 2.00 2.00 2.00 2.00 0.00 2.00 0.00 0.80 2.00 2.00 0.00 2.00 0.00 1.33 0.00 0.00 0.80 0.00 1.33 0.00 2.00 0.00 0.80 0.00 0.80 1.33 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">2 17 11 6 13 19 11 1 6 17 4 16 2 8 108 43 19 17 2 4 84 3 2 13 18 18 3 35 17 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W Cs O W W W W O 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">1.464</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">11.83 5.74 4.38 3.87 3.47 3.23 3.02 2.76 2.73 2.16 1.99 1.89 1.77 1.54 1.47 1.46 1.39 1.37 1.27 1.23 1.19 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 2 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:yz D:xz D:x2-y2 D:yz D:x2-y2 D:yz D:yz D:x2-y2 D:xz D:xz D:yz D:yz D:z2 D:z2 P:x P:x D:x2-y2 D:z2 P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -4.492 -4.492 0.031 -4.492 0.031 -4.492 -4.492 -4.492 -4.492 -4.492 0.031 -4.492 -0.436 -0.436 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 0.80 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.00 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">108 109 109 4 2 109 17 108 20 17 2 3 18 109 17 108 109 19 19 95 19 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs W W Cs W Cs W W W W W Cs W Cs Cs W W O W O</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">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.85 4.90 3.37 3.28 3.21 3.08 2.80 2.76 2.40 2.31 2.25 2.17 2.09 2.04 1.98 1.97 1.81 1.62 1.57 1.51 1.37 1.35 1.27 1.22 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 2 1 2 2 1 2 1 3 3 2 2 2 3 2 2 3 1 1 3 1 2 1 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S D:x2-y2 S S D:z2 S D:x2-y2 S S S S S S S S S P:y D:xy S D:x2-y2 S P:z D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 -5.688 -4.492 -5.688 -5.688 -4.492 -5.688 0.031 1.232 1.232 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 1.232 -9.089 0.031 1.232 0.031 -5.688 -9.089 0.031 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 2.00 0.80 2.00 2.00 0.80 2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 1.33 0.00 0.00 0.00 2.00 1.33 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">18 14 5 3 1 20 16 108 18 19 6 15 9 4 10 11 14 47 109 3 109 17 21 108 15 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W Cs W W W W W W W W W O Cs W Cs W O Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.547</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="12">12.19 10.72 10.10 5.22 4.88 3.04 2.73 2.51 1.86 1.63 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 2 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:z2 D:yz D:xy D:xz D:xy D:xz S D:z2 S D:x2-y2 D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 0.031 0.031 -5.688 0.031 -5.688 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">109 108 109 108 108 109 1 108 6 20 2 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Cs Cs Cs Cs Cs Cs W Cs 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">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.82 4.27 3.87 3.28 3.20 2.55 2.42 2.17 2.08 1.98 1.88 1.71 1.60 1.59 1.58 1.54 1.48 1.47 1.34 1.26 1.18 1.16 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 3 3 2 2 1 1 1 3 1 2 2 3 1 2 1 1 3 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:x2-y2 S S S S P:y D:z2 P:z S D:z2 S S S D:z2 S D:xy D:yz S D:yz D:x2-y2 D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 0.215 0.215 -5.688 -5.688 -9.089 -4.492 -9.089 1.232 -4.492 -5.688 -5.688 1.232 -4.492 -5.688 0.031 -4.492 1.232 -4.492 -4.492 -4.492 1.232 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.00 0.00 2.00 2.00 1.33 0.80 1.33 0.00 0.80 2.00 2.00 0.00 0.80 2.00 0.00 0.80 0.00 0.80 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">10 15 109 108 16 17 78 20 87 16 15 1 11 17 14 2 108 9 1 16 5 1 10 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W Cs Cs W W O W O W W W W W W W Cs W W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.595</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">7.16 5.58 4.75 4.14 3.96 3.77 3.48 2.61 2.56 2.53 2.24 1.93 1.75 1.70 1.66 1.64 1.63 1.61 1.49 1.43 1.40 1.39 1.34 1.24 1.23 1.21 1.21 1.16 1.13 1.11 1.11 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">2 2 1 1 3 1 2 3 2 1 2 3 1 1 2 2 3 1 2 2 2 2 2 1 1 3 1 1 2 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S D:xy D:x2-y2 S D:z2 S S S D:z2 S S D:z2 D:z2 S P:x S D:x2-y2 S S P:z S S P:y P:z S D:xy D:xz S D:xy S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-5.688 -5.688 0.031 -4.492 1.232 -4.492 -5.688 1.232 -5.688 -4.492 -5.688 1.232 0.031 0.031 -5.688 -0.436 1.232 -4.492 -5.688 -5.688 -0.436 -5.688 -5.688 -9.089 -9.089 1.232 -4.492 -4.492 -5.688 0.031 1.232 -5.054 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">2.00 2.00 0.00 0.80 0.00 0.80 2.00 0.00 2.00 0.80 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.80 2.00 2.00 0.00 2.00 2.00 1.33 1.33 0.00 0.80 0.80 2.00 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">18 14 108 5 14 20 2 18 19 10 7 19 109 108 5 108 2 15 12 15 109 10 1 47 21 7 12 20 17 109 4 101 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W Cs W W W W W W W W W Cs Cs W Cs W W W W Cs W W O O W W W W Cs W Tc Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">18.07 16.54 9.93 6.49 5.33 4.97 4.49 3.99 -3.56 3.15 2.87 2.59 2.24 -2.14 -2.09 1.90 1.88 -1.48 1.33 1.22 1.22 1.15 -1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 3 2 3 1 2 1 2 2 3 1 2 2 2 2 3 2 1 1 1 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S D:xz S S S S S D:xy S S P:x S S P:y S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 1.232 0.031 -5.688 -5.054 -2.078 0.790 1.232 0.031 0.790 -2.078 2.224 -5.688 1.232 -0.436 -5.054 -14.028 -6.493 1.232 0.215 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 1.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 0.00 0.00 2.00 2.00 1.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">9 3 9 14 3 109 18 101 109 101 14 108 103 108 106 16 17 109 103 106 104 18 108 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W Cs W Tc Cs Tc W Cs Tc Cs P W W Cs Tc P H W Cs 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">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.66 5.07 4.62 4.38 3.76 3.19 3.18 2.62 2.27 2.19 2.17 2.03 1.71 1.67 1.56 1.55 1.55 1.50 1.39 1.31 1.24 1.21 1.17 1.13 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 1 1 2 2 1 1 1 2 1 2 2 2 2 2 3 1 1 2 1 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y D:z2 D:x2-y2 P:z P:x D:xz D:z2 D:x2-y2 S D:x2-y2 P:z P:x S S P:y S D:x2-y2 D:yz S D:yz D:z2 D:yz D:x2-y2 D:xy S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-0.436 0.031 0.031 -0.436 -0.436 0.031 0.031 -4.492 -5.688 -4.492 -0.436 -0.436 -5.688 -5.688 -0.436 0.215 0.031 -4.492 -5.688 -4.492 -4.492 -4.492 -4.492 0.031 0.215 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 2.00 0.80 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 2.00 0.80 0.80 0.80 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 108 109 109 109 108 109 10 18 14 108 108 14 16 109 109 108 8 11 13 9 12 15 109 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs Cs Cs Cs Cs Cs W W W Cs Cs W W Cs Cs Cs W W W W W W Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.699</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">10.04 8.98 5.84 4.80 4.55 3.79 3.68 2.91 2.68 2.40 2.37 2.25 2.16 2.02 1.74 1.71 1.67 1.54 1.45 1.41 1.23 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 2 2 3 3 2 2 1 2 3 2 2 2 1 3 2 1 1 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S D:xz S S S S S D:z2 S S D:xy D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -4.492 -5.688 1.232 -5.688 -5.688 -5.688 0.031 1.232 -5.688 -4.492 -4.492 1.232 1.232 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.80 2.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">20 5 12 20 5 7 1 7 6 8 8 13 16 109 13 11 12 1 12 14 9 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W Cs 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">1.744</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">4.45 3.74 3.36 3.34 2.85 2.44 2.37 2.36 2.30 2.16 2.09 1.95 1.94 1.88 1.84 1.78 1.73 1.71 1.59 1.46 1.38 1.32 1.24 1.18 1.09 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 1 3 1 3 1 2 1 1 1 2 1 1 1 3 1 1 2 1 2 1 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S D:yz S D:x2-y2 S D:x2-y2 P:y D:yz D:z2 D:xy S D:xy D:xz D:xz S D:yz P:y S D:x2-y2 S D:x2-y2 P:x D:z2 S D:z2 D:xz D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 -4.492 0.215 -4.492 1.232 -4.492 -0.436 -4.492 0.031 -4.492 -5.688 0.031 -4.492 -4.492 1.232 -4.492 -9.089 -5.688 0.031 0.790 0.031 -9.089 -4.492 1.232 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 0.80 0.00 0.80 0.00 0.80 0.00 0.80 0.00 0.80 2.00 0.00 0.80 0.80 0.00 0.80 1.33 2.00 0.00 0.00 0.00 1.33 0.80 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">11 12 108 15 11 10 108 7 109 12 15 108 15 8 15 8 69 7 108 102 109 74 13 7 7 12 14 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W Cs W W W Cs W Cs W W Cs W W W W O W Cs Tc Cs O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">5.26 4.65 4.32 3.65 3.62 3.39 3.10 2.50 2.34 2.23 2.18 2.02 1.72 1.64 1.53 1.46 1.45 1.39 1.38 1.34 1.26 1.25 1.19 1.17 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 2 3 3 2 3 2 1 1 1 3 1 1 1 2 1 1 1 3 2 1 1 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz S S S S S S D:xy D:x2-y2 P:z S D:x2-y2 D:xy P:y S P:z D:z2 D:x2-y2 S S P:x P:y P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -5.688 1.232 0.215 -5.688 1.232 -5.688 -4.492 -4.492 -9.089 1.232 -4.492 -4.492 -5.485 -5.688 -9.089 0.031 -4.492 1.232 -5.688 -9.089 -9.089 -9.089 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 2.00 0.00 0.00 2.00 0.00 2.00 0.80 0.80 1.33 0.00 0.80 0.80 1.00 2.00 1.33 0.00 0.80 0.00 2.00 1.33 1.33 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">7 12 12 109 7 7 6 12 10 56 6 13 8 107 20 23 109 7 20 10 23 54 82 10 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W Cs W W W W W O W W W P W O Cs 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">1.766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">10.41 7.40 6.92 5.60 4.87 3.29 2.98 2.95 2.61 2.51 2.06 1.95 1.93 1.50 1.43 1.39 1.36 1.13 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 2 1 1 2 2 3 2 2 2 2 2 2 2 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz P:z D:xy D:xy P:y P:y S S S S P:x P:z S S S S S D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.031 0.031 -0.436 0.031 0.031 -0.436 -0.436 1.232 -5.688 -5.688 -5.688 -0.436 -0.436 -5.688 -5.688 -5.688 -6.493 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 1.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">108 109 109 109 108 109 108 16 16 6 8 109 108 19 12 13 105 7 5 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Cs Cs Cs Cs Cs Cs Cs W W W W Cs Cs W W W H W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.807</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">7.05 5.60 5.29 5.09 4.04 3.33 3.26 2.68 2.28 2.07 1.90 1.86 1.83 1.82 1.78 1.67 1.66 1.66 1.64 1.64 1.61 1.58 1.28 1.24 1.22 1.21 1.09 1.08 1.07 1.07 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 1 1 2 3 1 1 1 2 3 1 2 1 1 1 2 1 1 1 1 1 1 1 3 1 1 2 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S D:yz D:yz P:y S D:yz S S S S D:z2 S P:y D:xz P:z P:z D:xz D:yz P:y D:x2-y2 P:z P:y S S D:yz D:xz S S P:y P:z D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.232 0.031 -4.492 -0.436 1.232 -4.492 -5.054 -6.493 -5.688 0.215 -4.492 -5.688 -9.089 0.031 -9.089 -0.436 -4.492 -4.492 -5.485 -4.492 -5.485 -9.089 -5.054 1.232 -4.492 -4.492 2.471 1.232 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 0.80 0.00 0.00 0.80 2.00 1.00 2.00 0.00 0.80 2.00 1.33 0.00 1.33 0.00 0.80 0.80 1.00 0.80 1.00 1.33 2.00 0.00 0.80 0.80 0.00 0.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">1 109 16 108 16 1 101 105 1 108 19 4 32 109 51 108 18 18 106 4 106 46 100 5 3 2 105 4 85 85 4 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W Cs W Cs W W Tc H W Cs W W O Cs O Cs W W P W P O Tc W W W H W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">5.39 5.24 5.12 3.60 3.49 2.82 2.63 2.32 2.28 2.03 1.98 1.97 1.87 1.73 1.72 1.70 -1.66 1.64 1.61 1.52 1.50 1.44 1.35 1.33 1.26 1.25 1.25 -1.14 1.12 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 2 3 1 1 2 3 1 1 3 1 2 1 1 2 3 2 1 2 1 2 1 1 1 2 1 2 2 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S D:yz D:yz S S D:xy P:x S S S D:x2-y2 D:x2-y2 S S S D:xz P:z D:x2-y2 S D:x2-y2 D:yz D:xz S D:yz P:y S S D:x2-y2 D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">0.215 -5.688 1.232 0.031 0.031 -5.688 1.232 0.031 -5.485 0.215 -6.493 -5.688 -4.492 -4.492 -5.688 1.232 -2.078 -4.492 -0.436 -4.492 -2.078 -4.492 -4.492 -4.492 0.790 -4.492 -0.436 0.790 -5.688 0.031 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 1.00 2.00 0.80 0.80 2.00 0.00 1.00 0.80 0.00 0.80 1.00 0.80 0.80 0.80 0.00 0.80 0.00 0.00 2.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">109 18 18 109 108 9 3 108 106 108 105 3 5 20 7 9 109 17 109 16 108 1 2 5 100 17 109 101 14 108 20 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Cs W W Cs Cs W W Cs P Cs H W W W W W Cs W Cs W Cs W W W Tc W Cs Tc W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.970</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">11.98 5.84 5.02 4.16 3.84 2.59 2.53 2.21 1.66 1.65 1.59 1.54 1.53 1.43 1.40 1.40 1.39 1.28 1.24 1.18 1.15 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 2 1 1 3 3 1 2 1 3 1 3 3 2 2 1 1 1 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S D:yz S S S S D:x2-y2 S D:yz S S D:x2-y2 S D:xy D:xy P:x S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.790 0.790 -6.493 0.031 0.215 1.232 -5.054 -5.688 -4.492 1.232 0.031 0.215 1.232 4.055 -5.688 0.031 0.031 -5.485 -6.493 -5.054 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 1.00 0.00 0.00 0.00 2.00 2.00 0.80 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 1.00 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">100 101 105 108 108 18 101 18 20 5 109 109 1 2 5 108 109 106 104 103 4 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc H Cs Cs W Tc W W W Cs Cs W W W Cs Cs P H Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">6.66 5.87 3.81 3.58 3.48 3.19 2.77 2.38 2.14 1.87 1.76 1.75 1.69 1.68 1.63 1.57 1.45 1.44 1.40 1.36 1.30 1.26 1.22 1.16 1.16 1.14 1.13 1.05 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:x2-y2 P:x D:x2-y2 D:x2-y2 D:yz D:yz D:xz P:y S P:y D:yz D:z2 D:xz D:z2 S P:z P:y S D:x2-y2 S D:x2-y2 P:y D:x2-y2 D:yz P:z P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 1.232 -4.492 -5.485 -4.492 -4.492 -4.492 -4.492 -4.492 -5.485 -5.688 -9.089 -4.492 -4.492 -4.492 -4.492 0.790 -9.089 -9.089 0.790 -4.492 -6.493 -4.492 -9.089 -4.492 -4.492 -5.485 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.00 2.00 1.33 0.80 0.80 0.80 0.80 0.00 1.33 1.33 0.00 0.80 1.00 0.80 1.33 0.80 0.80 1.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">6 11 10 107 11 14 11 6 8 107 3 88 13 9 15 15 100 77 61 102 13 105 15 66 6 8 107 77 92 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W P W W W W W P W O W W W W Tc O O Tc W H W O W W P O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">9.18 7.83 6.14 5.67 5.10 4.70 4.22 4.05 3.97 3.87 2.82 2.79 2.18 1.41 1.25 1.22 1.22 1.22 1.21 1.14 1.09 1.06 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 1 2 2 2 3 1 1 2 2 3 1 2 1 2 1 2 1 1 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S D:x2-y2 S P:y S S D:z2 D:xz P:z P:x S D:xy S D:xy S D:z2 P:x D:z2 D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.688 -5.688 0.031 -5.688 -0.436 -5.688 0.215 0.031 0.031 -0.436 -0.436 0.215 0.031 -5.688 -4.492 -5.688 -4.492 -0.436 0.031 -4.492 -5.688 -5.688 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 2.00 0.80 0.00 0.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">9 14 109 3 109 18 108 108 108 108 108 109 109 15 18 10 14 109 109 9 16 2 1 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W Cs W Cs W Cs Cs Cs Cs Cs Cs Cs W W W W Cs Cs W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">7.28 5.46 4.91 4.91 4.65 4.05 4.02 3.15 2.69 2.61 2.32 2.19 2.09 1.98 1.85 1.49 1.45 1.38 1.29 1.23 -1.23 1.20 1.11 1.07 -1.07 1.07 -1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 2 1 3 3 1 2 3 1 2 2 1 2 1 2 1 1 2 3 2 1 3 2 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S D:z2 P:x S D:xz S P:z D:yz S D:xy S D:xy S D:x2-y2 S S D:yz S P:z P:y D:x2-y2 P:y D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.054 -6.493 -5.688 -5.054 1.232 1.232 0.031 -0.436 0.215 0.031 0.790 -0.436 0.031 -5.688 0.031 2.471 -4.492 -14.028 4.055 1.232 -2.078 -4.492 1.232 -0.436 -0.436 -4.492 9.585 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 1.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.80 2.00 0.00 0.00 1.00 0.80 0.00 0.00 0.00 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">101 104 14 102 12 9 109 109 108 108 102 109 109 12 108 104 8 106 8 15 109 12 4 108 109 9 72 11 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc H W Tc W W Cs Cs Cs Cs Tc Cs Cs W Cs H W P W W Cs W W Cs Cs W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.095</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">14.97 9.12 8.48 6.86 6.67 -5.54 5.17 4.96 4.74 -3.43 3.20 2.47 2.47 2.24 1.93 1.73 1.66 1.56 1.50 1.37 1.34 1.27 1.19 1.18 1.17 -1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 3 3 1 2 3 1 2 2 3 1 3 2 3 2 2 2 2 1 2 2 3 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S D:xy S S D:xz S S S D:z2 S S S P:x S S S D:x2-y2 P:x D:xz S P:y S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 0.215 0.031 -2.078 1.232 0.031 -5.688 -2.078 0.215 0.031 1.232 -5.688 1.232 -0.436 -5.688 -5.688 -5.688 0.031 -0.436 4.055 1.232 -0.436 -5.688 -0.504 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 0.00 0.00 0.00 1.00 0.00 0.00 2.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">3 18 3 109 108 108 20 109 20 109 108 109 17 9 9 109 16 14 5 109 108 4 12 109 1 4 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W Cs Cs Cs W Cs W Cs Cs Cs W W W Cs W W W Cs Cs W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">7.89 7.81 7.51 7.46 6.21 5.36 3.97 3.91 -3.74 3.06 2.77 2.38 1.96 1.87 1.85 1.68 1.62 1.59 1.27 1.15 1.15 1.11 1.07 1.05 -1.05 1.03 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 3 2 2 1 3 3 3 2 2 1 2 1 1 3 1 3 2 2 2 2 1 1 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 S S S D:z2 S S S S S D:yz P:y D:xy S S D:xz S S S S P:z D:xz D:x2-y2 S S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">0.031 1.232 -5.688 -5.688 0.031 1.232 0.215 1.232 -2.078 -5.688 0.031 -0.436 0.031 -5.054 1.232 -4.492 0.215 -5.688 -5.688 -5.688 -0.436 -4.492 -4.492 -5.688 -2.078 -5.485 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 2.00 2.00 2.00 0.00 0.80 0.80 2.00 1.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">108 14 14 9 109 7 109 10 108 7 108 109 109 101 13 7 108 6 12 11 108 10 6 13 109 107 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs W W W Cs W Cs W Cs W Cs Cs Cs Tc W W Cs W W W Cs W W W Cs P Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">38.31 9.66 8.90 8.79 7.35 6.75 4.95 4.41 3.35 -2.77 2.45 2.16 2.13 -2.12 -1.95 1.94 -1.43 1.39 1.38 1.28 -1.24 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 2 1 1 1 1 1 2 2 2 1 2 2 2 2 3 2 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S D:z2 D:x2-y2 S S S S D:xy D:x2-y2 P:z S S D:yz S S S S S S S P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-5.054 0.031 0.031 0.790 -5.054 -14.028 -14.028 0.031 0.031 -0.436 3.429 -5.688 0.031 -5.688 -5.688 3.429 0.790 1.232 -5.688 11.940 -0.436 -0.773</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">103 108 109 103 101 107 106 109 108 108 106 14 109 12 7 107 101 14 10 103 109 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Cs Cs Tc Tc P P Cs Cs Cs P W Cs W W P Tc W W Tc Cs Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.684</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">108</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">12.71 12.05 11.73 11.20 5.79 5.49 3.49 3.39 3.28 3.16 3.02 2.95 1.46 1.30 1.24 1.13 1.12 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 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">75 24 26 55 94 34 35 83 95 40 42 44 22 28 31 85 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">-22.657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">109</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">11.92 10.56 10.47 10.31 10.29 10.01 9.75 8.13 2.16 1.64 1.44 1.37 1.23 1.16 1.06</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">S S S S S S S S S S S D:x2-y2 D:x2-y2 D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">96 99 61 92 67 91 66 97 82 74 68 6 11 11 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.42 8.37 7.90 7.36 6.89 6.58 6.17 5.82 4.32 4.17 3.85 2.60 2.37 2.10 1.94 1.89 1.61 1.51 1.41 1.34 1.22 1.16</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">S S S S S S S S S S S S S S S S S S S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">55 24 34 94 26 29 75 27 36 95 35 25 28 31 22 52 44 50 40 33 42 18</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">111</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.82 9.35 9.32 9.13 8.93 8.66 4.59 3.72 3.63 3.52 3.37 3.10 1.82 1.51 1.37 1.28 1.25 1.04 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">S S S S S S S S S S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">57 90 63 89 59 49 74 82 69 56 81 68 97 66 67 88 77 14 99</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">112</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.41 12.59 10.12 9.76 8.81 8.18 6.08 4.61 4.07 2.68 2.20 2.07 1.85 1.54 1.29 1.05</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">S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020 -5.054 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">83 42 94 40 44 34 35 95 25 101 51 36 32 100 27 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O Tc O O O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">113</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.60 9.33 9.00 8.71 8.67 8.48 8.47 8.21 2.68 2.64 2.42 2.16 2.15 1.98 1.97 1.92 1.59 1.41</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">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="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">52 28 22 51 31 50 32 33 53 30 42 83 79 43 34 41 84 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">-22.467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">114</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">16.93 13.57 13.02 11.65 11.50 10.94 1.15 1.14 1.01</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 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">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="9">27 29 25 85 46 36 28 22 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-22.454</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">115</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">14.38 11.67 8.94 8.66 7.44 7.39 5.55 4.79 4.26 3.74 2.95 2.09 1.89 1.66 1.59 1.43 1.39 1.32 1.29 1.14 1.13</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">S S S S S S S S S S S S S S S S D:x2-y2 S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -4.492 -5.054 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">63 49 58 74 82 81 70 68 66 97 67 99 69 89 103 92 10 102 14 62 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O Tc O W Tc W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">116</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.87 10.35 9.23 9.00 8.87 8.71 8.53 8.27 2.52 2.12 2.10 1.78 1.73 1.61 1.39 1.21 1.16 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">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="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">32 51 22 50 33 28 31 52 95 94 35 42 34 55 24 83 40 44</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">-22.391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.48 10.78 9.59 8.64 6.38 5.52 5.07 4.98 4.91 3.71 3.18 2.63 2.50 2.05 1.74 1.64 1.51 1.47 1.44 1.24 1.08 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">S S S S S S S S S S S S S S S S S S S D:yz D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">62 69 56 81 68 91 89 57 96 59 90 49 60 70 92 61 58 66 97 8 12 63</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 W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">118</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.69 7.84 6.78 6.65 5.26 4.85 4.72 4.10 3.72 3.55 3.50 3.26 3.19 3.06 3.01 2.93 2.87 2.42 2.28 1.83 1.36 1.31 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">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="24"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">25 36 27 29 31 52 40 33 35 51 44 50 32 95 43 22 28 30 84 53 79 41 42 47</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">-22.368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">119</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">43.72 42.53 2.09 1.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">85 46 16 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">120</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">9.13 8.53 7.74 6.99 6.94 6.72 6.47 6.37 5.92 4.76 4.17 4.01 2.51 2.13 1.96 1.87 1.08</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">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="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">44 42 34 83 40 94 43 95 84 35 53 30 79 21 47 41 22</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">-22.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">121</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">32.44 31.48 6.11 5.23 2.88 2.56 2.24 2.04 1.75 1.58 1.44 1.39 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">S S S S S S D:yz D:yz S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">46 85 25 36 27 29 16 1 51 33 32 50 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">122</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">9.90 8.53 8.43 8.07 8.01 7.03 5.59 5.41 5.12 4.47 4.05 3.48 3.35 2.76 2.74 2.48 1.05</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">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="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">68 49 96 81 63 91 92 99 61 67 93 64 65 66 86 97 78</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">-22.288</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">123</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">14.66 12.77 7.01 6.89 6.76 6.73 6.09 4.39 3.91 3.87 3.39 2.70 2.65 2.62 2.25 2.12 2.10 1.20</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">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="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">56 69 66 97 82 74 49 63 68 78 87 67 54 99 23 81 61 92</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">-22.271</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">124</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">27.34 26.69 8.20 7.81 6.26 4.15 1.59 1.58 1.36</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 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">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="9">77 88 58 70 60 62 65 69 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-22.267</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">125</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">56.32 12.57 3.57 3.18 2.87 2.18 2.16 2.14 1.09 1.04 1.03</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">S S S S D:xy S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">43 30 28 53 2 31 52 84 32 83 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O 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">-22.260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">126</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="7">45.71 30.72 5.32 3.17 2.29 1.41 1.36</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 S D:x2-y2 S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">30 53 29 27 3 43 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">127</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">33.78 23.61 14.32 6.29 2.52 1.85 1.50 1.21 1.17 1.16</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">S S S S S S D:xz D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">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="10">84 53 43 30 22 27 17 18 35 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">128</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">35.51 19.67 12.32 4.56 4.02 2.52 2.34 2.03 1.91 1.31</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">S S S S S S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">84 53 30 79 34 94 42 17 95 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.233</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">129</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">14.98 13.86 11.26 9.08 7.46 6.26 4.51 3.75 3.15 2.98 2.27 2.26 1.98 1.71 1.51 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">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">61 67 74 68 97 96 92 99 66 86 91 63 56 54 93 69</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">-22.229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">130</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.65 11.08 8.84 8.73 5.53 4.66 4.49 4.10 3.49 2.81 2.61 2.43 2.38 2.29 2.16 2.13 2.13 1.98 1.21 1.12 1.07 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">S S S S S S S S S S S S S S S S S S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">82 92 81 99 69 91 56 65 66 60 49 23 78 87 74 88 64 70 10 86 63 68</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">131</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">66.64 4.19 3.09 3.01 2.48 2.10 2.05 1.87 1.81 1.52 1.30 1.21</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 D:yz S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">79 36 35 19 40 25 41 19 84 47 50 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O W O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">132</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">43.41 42.28 2.03 1.94 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">77 88 6 11 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.203</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">133</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">59.07 5.96 5.18 4.47 3.10 2.91 2.11 2.05 1.83 1.33 1.27 1.13 1.03</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 D:z2 S S S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">41 21 95 44 4 36 84 79 51 4 33 25 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.182</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">134</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">31.07 7.54 6.78 6.74 5.69 4.84 3.97 3.37 3.10 2.71 2.63 2.11 1.55 1.27 1.22 1.19 1.16 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">S S S S S S S S S S S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">47 94 41 83 79 40 35 36 27 44 32 21 95 52 34 43 42 5</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.169</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">135</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">40.87 17.05 11.22 6.26 5.65 2.19 1.45 1.14 1.10 1.03 1.02</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">S S S S S D:z2 S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">21 47 41 42 34 20 83 50 94 51 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.164</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">136</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">15.61 15.16 7.74 7.50 6.13 5.15 5.06 4.78 3.10 2.00 1.95 1.95 1.64 1.59 1.57 1.55 1.51 1.41 1.17 1.15 1.15 1.12 1.10</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">S S S S S S S S S S S S S S S S S S D:yz S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">77 88 60 58 70 65 62 86 92 23 54 61 82 97 78 93 74 67 6 63 66 11 49</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 W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.146</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">137</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">14.27 8.99 8.98 7.89 6.60 6.43 6.34 4.44 4.33 3.41 3.04 2.91 2.50 2.33 2.13 2.05 1.60 1.44 1.11</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">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="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">29 22 28 25 31 52 27 50 33 35 51 32 83 95 36 42 40 47 94</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">-22.134</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">138</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">28.05 26.98 6.32 3.69 3.68 3.20 2.96 2.20 2.18 1.93 1.92 1.60 1.52 1.44 1.38 1.20 1.04 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">S S S S S S S S D:x2-y2 D:z2 S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 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="18">47 21 40 44 27 35 94 83 5 20 52 31 95 22 34 28 42 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">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">-22.119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">139</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="7">50.88 26.24 5.42 2.33 1.90 1.73 1.53</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 S D:x2-y2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">65 78 86 63 9 9 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">140</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">46.08 26.27 4.17 4.16 2.65 1.94 1.73 1.50 1.20 1.14</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">S S S S D:z2 S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">86 78 67 66 14 65 99 97 15 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">141</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">24.47 16.79 15.49 11.33 5.20 3.00 2.42 1.90 1.83 1.47 1.37 1.25 1.08 1.02</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">S S S S S S S S S D:z2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">87 86 65 78 99 70 49 68 92 10 56 97 58 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">142</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">13.38 9.84 9.15 8.54 8.35 7.49 5.81 5.32 3.81 3.76 2.32 1.96 1.58 1.42 1.40 1.25 1.25 1.18</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">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="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">44 95 40 21 35 34 42 94 47 83 51 50 41 36 52 22 25 84</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">-22.092</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">143</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.88 11.34 10.48 9.57 8.27 7.60 5.81 4.96 4.65 4.54 3.96 3.25 1.77 1.75 1.54 1.02</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">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">25 36 32 33 51 50 29 28 31 27 22 52 95 44 47 40</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">-22.092</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">144</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">30.94 19.13 5.71 4.92 3.37 3.26 3.22 3.17 3.04 1.93 1.74 1.55 1.49 1.37 1.34 1.27 1.16 1.12</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">S S S S S S S S S S S S S S D:xy D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">93 87 78 65 58 86 61 62 70 69 96 67 74 60 8 10 97 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">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">-22.081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">145</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">40.53 27.82 4.28 2.57 2.28 2.13 2.07 1.97 1.96 1.31 1.29 1.18 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">S S S S S D:xy S S D:z2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">93 87 78 81 82 8 64 86 10 58 56 70 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">146</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">28.16 15.13 7.46 5.07 4.08 3.55 3.23 3.21 2.72 2.60 2.58 2.45 2.03 1.71 1.69 1.57 1.31 1.22</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">S S S S S S S S S S S S S S S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">64 54 23 93 81 74 61 78 63 91 87 69 92 82 96 13 49 86</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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.056</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">147</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">45.43 23.47 10.19 4.01 2.48 1.98 1.20 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S S D:x2-y2 D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">64 23 54 68 87 13 7 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">148</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">17.25 10.06 8.94 8.41 7.48 5.68 4.01 3.76 3.68 3.33 2.59 2.42 2.42 2.34 1.84 1.77 1.69 1.36 1.27</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">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="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">54 58 70 62 69 60 23 56 74 63 81 99 67 49 68 82 92 61 91</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">-22.031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">149</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">29.59 26.77 10.46 7.57 4.41 3.51 3.41 1.54 1.39 1.28 1.06 1.03</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 D:xy S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">54 23 62 60 92 61 58 12 67 7 70 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-22.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">150</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">15.70 15.68 12.75 12.74 7.21 6.21 5.96 4.62 3.75 3.63 2.77 2.69 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">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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054</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">24 75 55 26 40 35 95 44 94 83 42 34 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.014</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">151</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">18.98 13.19 9.31 8.25 6.57 6.16 6.03 5.45 5.03 3.11 2.74 2.70 1.67 1.52</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">S S S S S S S S S S S S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">23 56 82 54 69 68 64 49 74 87 81 63 7 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.924</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">152</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">18.51 14.27 10.79 8.89 8.59 8.14 7.79 4.02 3.92 2.95 2.89 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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">70 60 58 97 66 99 67 91 96 61 92 62</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">-21.875</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">153</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.77 10.45 8.51 8.19 8.11 7.90 5.90 4.83 4.19 3.99 3.74 3.52 2.07 1.88 1.68 1.58</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">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">60 62 91 96 61 92 70 58 97 66 99 67 57 90 89 59</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">-21.863</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">154</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">13.29 12.11 10.10 9.66 9.06 7.07 6.87 6.32 5.44 5.16 4.83 4.71</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">55 26 75 24 44 40 95 42 83 34 94 35</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">-21.845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">155</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">20.20 14.75 12.08 9.05 6.28 5.32 5.11 4.09 3.62 3.02 2.38 1.17 1.06 1.04</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">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">57 89 90 59 74 82 69 60 70 56 38 81 67 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-21.817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">156</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">14.20 11.20 10.27 9.69 9.64 7.08 7.06 6.90 5.66 5.24 4.47 3.60</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">75 83 35 26 24 42 94 40 95 55 34 44</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">-21.754</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">157</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">12.89 12.64 10.78 9.72 7.74 7.46 7.37 7.05 6.70 5.99 4.79 4.29</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">26 42 95 55 83 44 75 34 35 24 40 94</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">-21.712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">158</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">19.91 14.83 11.26 9.06 8.39 7.65 6.37 5.68 3.04 2.53 2.17 2.06</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">89 57 59 90 82 56 69 74 68 81 49 63</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">-21.683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">159</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">91.51 1.54 1.40 1.30 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S P:x D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -0.773 -6.681 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 0.00 1.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">38 101 103 89 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">160</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">25.83 13.30 11.55 8.67 7.01 6.52 5.59 4.17 3.36 3.03 2.89 1.43 1.20</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">90 59 81 57 74 63 68 69 89 82 49 56 38</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">-21.606</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">161</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">23.48 13.85 10.53 8.94 7.88 7.01 6.53 4.67 4.34 3.65 3.59 2.45</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">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</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">59 68 90 89 82 49 81 56 57 74 63 69</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">-14.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">162</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">15.41 11.60 9.97 8.45 8.29 6.71 4.84 4.81 4.80 4.51 3.94 3.24 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y S P:z S P:z S S S S P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">39 48 106 45 106 37 37 48 45 39 37 45 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O P O 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">-14.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">163</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">11.81 11.68 10.27 9.39 8.24 8.18 4.82 4.82 4.78 4.77 4.67 2.63 2.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:y P:x S P:z S P:z S S S P:y S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -9.089 -24.020 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">80 73 107 76 107 71 76 80 73 71 71 76 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O P O 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">-12.377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">164</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">36.15 33.92 13.71 7.69 6.72</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 109 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">165</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">34.28 23.04 14.75 10.14 4.41 2.71</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:x P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">109 108 109 108 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">166</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="3">52.48 40.00 6.62</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="3">1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="3">P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="3"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="3">2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="3">108 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="3">Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">167</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">34.76 28.60 19.69 4.56 4.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:x P:x P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 109 108 109 109 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.279</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">168</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="4">71.93 15.82 4.31 2.56</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">109 109 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.271</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">169</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">53.81 33.90 3.38 2.93 1.42</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:z P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 108 109 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">170</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">33.23 7.59 7.42 7.06 5.68 2.32 2.26 2.20 2.19 2.14 1.62 1.62 1.45 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:z P:x P:y P:x P:y P:x S P:z P:x P:z P:y D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -5.485 -9.089 2.224 -9.089 -9.089 -24.020 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.00 1.33 0.00 1.33 1.33 2.00 1.33 1.33 1.33 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">39 45 106 48 106 37 48 39 37 37 39 45 2 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O P O P O O O O O O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">171</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">20.70 15.58 7.82 4.53 3.24 3.14 3.12 2.96 2.74 2.07 2.05 2.01 1.85 1.82 1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:y P:x P:y P:y P:z P:y P:z P:z P:z S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -9.089 2.224 -9.089 -5.485 -9.089 -9.089 2.224 -9.089 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.33 0.00 1.33 1.00 1.33 1.33 0.00 1.33 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">48 45 45 106 48 106 39 106 37 37 106 39 48 45 3 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P O P O P O O P O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.022</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">172</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">17.52 10.74 5.21 5.10 4.41 4.30 4.12 4.09 3.37 2.66 2.36 2.33 2.21 1.86 1.66 1.52 1.24 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:z P:x P:x P:z P:x P:y P:z D:x2-y2 P:y P:y S P:y P:y P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -9.089 2.224 -6.681 -5.485 -9.089 -24.020 2.224 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.00 1.00 1.33 2.00 0.00 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">71 71 80 71 73 107 76 76 107 102 107 73 71 107 80 73 80 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O P O O P Tc P O O P O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.953</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">173</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">18.48 10.68 6.97 6.95 4.63 3.28 3.21 3.18 3.02 3.01 2.82 2.46 2.23 2.15 1.49 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:y P:z P:y P:z P:z P:z S P:y P:y P:x P:y P:x P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -5.485 2.224 -9.089 -24.020 -5.485 -9.089 -9.089 -9.089 -9.089 2.224 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.00 0.00 1.33 2.00 1.00 1.33 1.33 1.33 1.33 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">37 37 48 45 106 106 39 37 106 48 45 39 37 106 5 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O P P O O P O O O O P W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">174</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">20.83 18.18 6.61 4.17 3.17 2.92 2.79 2.67 2.59 2.37 2.19 2.09 1.95 1.83 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:y P:z P:y P:y P:x P:z P:y P:z P:z S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -5.485 2.224 -9.089 -9.089 -9.089 -9.089 2.224 -9.089 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.00 0.00 1.33 1.33 1.33 1.33 0.00 1.33 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">80 76 76 107 107 107 73 80 71 71 107 73 76 80 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P P P O O O O P O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.870</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">175</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">29.29 8.97 6.85 6.57 4.77 4.60 3.32 2.72 2.21 1.56 1.50 1.14 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y P:z P:x P:x P:x P:y S P:x D:x2-y2 P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 2.224 -9.089 -9.089 -24.020 -9.089 -4.492 -9.089 -5.485 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.00 0.00 1.33 1.33 2.00 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">73 80 76 107 107 71 76 73 80 12 80 107 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O P P O O O O W O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.834</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">176</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.45 5.74 4.73 4.64 4.08 3.55 3.32 3.01 2.90 2.68 2.64 2.54 2.48 2.39 2.27 2.19 1.97 1.94 1.83 1.81 1.75 1.71 1.59 1.55 1.47 1.30 1.18 1.09</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:y P:x P:z P:y P:x P:x D:z2 P:y D:x2-y2 P:y P:y P:y P:x P:y D:x2-y2 P:z D:yz D:x2-y2 P:z P:z P:z D:xz P:y D:z2 D:xy D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">33 50 31 51 32 22 52 1 36 16 25 29 27 28 52 1 36 16 20 25 29 27 2 28 5 16 4 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W O W O O O O O W O W W O O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">177</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.84 5.35 5.15 4.75 4.73 4.32 3.76 3.48 3.32 3.26 2.83 2.72 2.60 2.35 2.27 2.24 1.87 1.61 1.46 1.35 1.27 1.25 1.24 1.21 1.10 1.10 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:z P:y P:x P:z P:x P:y P:y P:x P:y P:x P:y P:y P:z P:y P:z P:y P:z P:z D:xz D:x2-y2 D:x2-y2 D:yz P:z D:x2-y2 D:yz D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</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 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">33 50 31 51 22 32 29 52 36 28 52 27 29 25 36 28 27 25 2 3 1 16 31 20 1 4 5</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 W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.581</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">178</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.43 5.32 4.86 3.72 3.69 3.65 3.46 3.41 2.93 2.90 2.90 2.70 2.60 2.59 2.54 2.30 2.29 2.23 1.81 1.62 1.50 1.50 1.28 1.22 1.20 1.19 1.18 1.07 1.06 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:x P:x P:x P:y P:z P:y P:x P:y D:x2-y2 P:z P:y D:x2-y2 P:y P:z D:z2 P:z P:y D:xz D:xy P:y P:z D:x2-y2 P:z D:x2-y2 D:yz D:xy P:y P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</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 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 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="30">91 92 96 62 67 96 61 99 11 62 60 6 61 97 11 60 66 12 6 58 91 13 58 10 6 7 70 92 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O W O O W O O W O O W W O O W 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">-11.537</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">179</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.85 8.29 6.69 6.13 3.73 3.48 3.14 2.95 2.86 2.72 2.31 2.26 1.97 1.90 1.89 1.87 1.77 1.71 1.68 1.55 1.27 1.25 1.25</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:z P:y P:y P:y P:x P:z P:x P:z D:x2-y2 P:y P:x P:x D:z2 D:yz P:z P:y D:yz P:y D:xz D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</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 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">67 99 97 66 58 70 91 58 92 70 10 62 96 61 15 6 62 96 11 61 15 14 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W O O O W W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">180</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.40 6.70 4.67 4.49 4.43 3.70 3.52 3.44 2.89 2.64 2.50 2.17 2.15 2.01 1.49 1.46 1.29 1.28 1.27 1.25 1.09 1.09 1.07 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:x P:y P:z P:x P:y P:x P:y P:x D:xz P:x D:x2-y2 P:y P:z D:x2-y2 P:z D:yz D:x2-y2 P:x D:xz D:yz P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</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 1.33 0.80 1.33 1.33 0.80 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="24">24 35 24 75 94 83 83 40 2 55 5 40 75 19 95 2 20 44 5 18 55 24 50 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W O W O O W 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">-11.271</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">181</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.74 7.11 6.25 5.39 5.13 4.81 3.99 2.48 2.28 2.28 2.16 2.02 1.80 1.76 1.69 1.67 1.60 1.58 1.50 1.46 1.39 1.23 1.21 1.17 1.13 1.11 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">P:x P:z P:x P:z P:x P:x P:z P:z D:xz D:x2-y2 D:xz D:x2-y2 P:y P:z P:x P:x D:z2 P:x D:yz D:xz D:x2-y2 D:z2 P:y P:y P:y D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -6.681 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492</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 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 1.00 1.00 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">55 95 42 34 26 44 55 26 100 4 17 20 35 42 75 24 101 83 17 20 100 100 94 55 83 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O Tc W W W O O O O Tc O W W Tc Tc O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">182</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.31 8.31 5.58 4.95 4.79 4.71 4.55 3.81 3.65 3.53 3.09 2.85 2.41 2.34 1.73 1.69 1.35 1.26 1.22 1.12 1.02 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:y P:x P:y P:x D:x2-y2 P:y P:x P:x P:z D:x2-y2 P:y D:z2 P:z D:yz D:xz D:x2-y2 D:x2-y2 P:z D:xy P:y D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -6.681 -9.089 -4.492 -4.492</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 0.80 1.33 1.00 1.33 0.80 0.80 0.80 1.00 1.33 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">81 57 69 90 102 74 74 63 57 15 63 102 90 8 12 9 103 68 103 57 12 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O Tc O O O O W O Tc O W W W Tc O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">183</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.12 8.47 7.03 6.48 6.26 5.06 4.34 2.87 2.20 2.17 2.15 2.15 2.14 2.03 1.90 1.73 1.62 1.58 1.51 1.48 1.35 1.24 1.11 1.08 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:x P:x P:x P:z D:x2-y2 P:z D:x2-y2 D:xz D:xz P:z D:xz D:xz D:z2 P:z D:yz D:xy D:yz S P:x P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -9.089 -6.681 -4.492 -6.681 -9.089 -4.492 -4.492 -4.492 -5.054 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.00 1.33 1.00 0.80 1.00 1.33 0.80 0.80 0.80 2.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">89 68 56 82 49 59 89 10 59 14 10 102 82 103 7 102 49 13 7 7 103 57 89 14 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W O W W Tc O Tc W Tc O 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">-11.167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">7.64 7.43 6.58 5.18 4.92 4.58 4.15 3.85 3.77 3.27 3.26 3.22 2.17 2.08 2.05 1.47 1.28 1.16 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:z P:x P:y P:x P:x P:z D:z2 P:y D:x2-y2 P:x P:y D:x2-y2 D:yz P:y D:xy D:x2-y2 P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">33 31 50 52 22 51 1 32 16 28 52 1 16 28 16 4 31 50 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W O W O O W W O W W O O W</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">185</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.09 9.17 6.49 6.49 5.80 5.29 4.35 3.96 3.75 3.00 2.35 2.18 1.99 1.92 1.54 1.18 1.09 1.05 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:z P:y P:z P:x P:y P:x P:y P:x P:x P:y D:yz P:z D:yz D:x2-y2 P:z D:xz D:xz P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492</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 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">33 50 51 31 32 22 52 52 28 28 16 31 1 1 22 16 2 32 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O W O W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">186</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.00 8.88 7.78 5.33 4.02 3.16 3.14 3.13 2.95 2.85 2.59 2.33 1.83 1.78 1.62 1.60 1.60 1.42 1.30 1.22</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:z P:y P:z P:x P:x D:x2-y2 P:x D:xz D:yz P:y P:x D:yz P:y P:y D:z2 D:xy D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">29 29 27 27 31 22 3 52 2 18 52 28 3 36 28 18 17 17 31 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O W W O O W O O W W W 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">187</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.50 9.24 7.73 5.42 5.29 5.10 3.44 3.37 3.37 2.52 2.43 2.05 2.05 1.91 1.80 1.76 1.43 1.36 1.10 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:z P:y P:y P:z P:z P:y D:x2-y2 P:z D:x2-y2 D:z2 P:y D:yz D:yz D:xz D:xz P:y P:z D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</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 0.80 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="20">36 36 25 50 25 33 32 20 51 4 5 29 4 19 5 19 27 29 19 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W O W W 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">-10.957</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">188</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">8.17 7.87 7.00 5.51 5.36 4.90 4.70 4.10 4.07 3.73 3.26 3.15 2.57 2.37 1.93 1.74 1.46 1.29</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:z P:y P:z P:x P:y P:x P:y D:z2 D:x2-y2 D:x2-y2 P:x D:yz D:xy P:y P:z D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</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 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">91 67 99 97 96 66 92 96 11 6 11 61 6 6 61 91 11 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O W W W O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">189</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">8.60 8.26 6.91 6.27 6.21 4.56 4.36 3.75 2.93 2.72 2.35 2.30 2.28 2.13 1.86 1.55 1.31 1.05</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:y P:x P:y P:z P:x P:y P:x P:y P:x P:y D:yz P:z D:yz D:x2-y2 P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</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 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">67 99 91 66 97 92 96 96 61 61 72 11 91 6 11 92 6 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.849</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">190</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.02 9.59 6.67 5.57 5.18 5.13 4.69 2.67 2.66 2.64 2.56 2.37 1.65 1.46 1.43 1.38 1.29 1.12 1.10 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:z P:x P:z P:y D:x2-y2 P:y D:x2-y2 P:y P:x D:yz P:y P:y S P:y P:z D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -6.493 -9.089 -9.089 -4.492 -4.492</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 1.33 0.80 1.33 1.33 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">24 75 98 24 83 75 94 5 83 19 35 40 18 75 24 105 40 98 2 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W O W O O W O O H O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.824</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">191</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">13.32 10.90 6.80 6.23 5.90 5.67 3.56 3.35 3.19 2.49 1.92 1.90 1.70 1.60 1.59 1.59 1.54 1.53 1.12</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:z P:x P:z P:z P:x P:z D:x2-y2 D:xz D:xz D:z2 P:y D:z2 D:x2-y2 P:y P:z D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</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 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">55 26 34 42 26 55 44 95 4 17 20 4 26 3 20 55 42 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W W W O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.774</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">192</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">22.73 5.15 3.47 2.42 2.38 2.26 2.10 1.93 1.86 1.86 1.81 1.69 1.67 1.62 1.55 1.52 1.51 1.44 1.35 1.33 1.32 1.31 1.30 1.14 1.14</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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y S P:z S P:y P:z D:x2-y2 D:xz P:x P:z P:z P:z P:x P:y P:x P:y P:z P:y P:x P:x D:x2-y2 D:yz P:y D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -6.493 -9.089 -24.020 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 2.471</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.00 1.33 2.00 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 0.80 0.80 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">72 104 72 72 62 97 102 102 96 70 62 67 61 96 90 60 58 70 63 74 13 8 63 15 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O H O O O O Tc Tc O O O O O O O O O O O O W W O W H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.755</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">193</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.58 8.94 5.93 5.64 4.94 3.35 3.08 2.98 2.69 2.40 2.16 1.84 1.55 1.47 1.44 1.26 1.15 1.14 1.14 1.11 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:z P:y P:x P:z P:y P:x P:x D:xz D:x2-y2 D:z2 P:y D:x2-y2 D:yz D:yz P:z P:z P:y D:xy P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</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 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">62 62 60 91 60 72 92 96 12 13 8 96 7 13 8 91 70 70 7 61 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W W W O W W W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.742</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.22 8.48 7.56 7.04 4.70 4.52 4.03 3.45 3.16 3.01 2.56 2.47 1.97 1.67 1.62 1.59 1.29 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">P:y P:y P:z P:y P:y P:y P:z D:x2-y2 D:x2-y2 P:z D:yz P:z S D:yz D:z2 P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -6.493 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.00 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">70 72 70 58 99 66 58 10 14 97 14 67 104 9 15 72 9 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O W W O W O H W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.708</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">195</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">34.85 8.32 6.94 5.01 3.65 3.45 3.06 2.02 1.76 1.75 1.66 1.62 1.32</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:y S P:z D:xz P:y S D:x2-y2 P:y S P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -6.493 -9.089 -6.681 -9.089 -24.020 -6.681 -9.089 2.471 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.00 1.33 1.00 1.33 2.00 1.00 1.33 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">98 105 98 100 39 98 100 94 105 24 39 75 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O H O Tc O O Tc O H 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">196</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.08 6.59 4.88 4.30 4.09 3.47 3.27 2.63 2.46 2.40 2.36 2.27 1.97 1.97 1.83 1.80 1.45 1.37 1.28 1.26 1.21 1.19 1.18 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:x P:z P:z P:x P:z P:x P:z P:z D:x2-y2 P:y D:xz P:y D:xz P:x D:x2-y2 P:z P:y D:z2 P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</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 0.80 1.33 0.80 1.33 0.80 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="24">89 59 57 49 89 68 90 59 82 56 57 14 81 7 69 10 63 15 90 89 13 49 10 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W O W O W 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">-10.593</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">197</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.51 5.67 5.64 5.11 4.32 4.19 3.96 3.27 3.15 2.26 2.20 2.01 1.87 1.61 1.60 1.43 1.34 1.25 1.16 1.14 1.13</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:y P:x P:y P:z P:x P:y P:z P:z P:x P:z P:z P:z D:yz P:x D:xz S P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.493 -9.089 -6.681 -4.492</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 1.33 0.80 1.00 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">57 89 72 90 81 57 59 69 68 89 49 90 56 59 8 63 12 104 63 102 15</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 O W H O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.532</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">198</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.01 3.71 3.65 3.15 2.90 2.80 2.76 2.68 2.57 2.43 2.17 2.16 2.13 2.05 1.89 1.83 1.81 1.80 1.79 1.75 1.70 1.66 1.59 1.52 1.48 1.43 1.42 1.38 1.37 1.35 1.29 1.23 1.21 1.16 1.10 1.06</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 D:xy P:y D:xz P:z D:xy P:z P:x P:z D:xy P:y P:y D:xz P:x D:z2 P:z D:z2 P:y P:y D:xz P:z D:xz P:y P:z P:z D:yz D:xy P:z P:y P:y P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">50 33 32 51 4 55 1 28 20 52 36 24 16 42 26 19 25 2 31 18 22 31 16 75 5 44 83 22 3 1 40 34 95 27 29 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O W O W O W O O O W O O W O W O W O O W O W O O O W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.456</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">199</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.32 4.53 4.04 2.82 2.60 2.48 2.47 2.35 1.89 1.83 1.78 1.75 1.61 1.53 1.51 1.43 1.37 1.30 1.22 1.22 1.16 1.13 1.10 1.10 1.06 1.01 1.01 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:y P:y P:z P:z P:z P:y P:y D:z2 P:y P:z D:x2-y2 D:yz P:y D:x2-y2 P:z P:z P:y D:z2 P:y P:x D:yz D:yz D:xy D:x2-y2 P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">39 39 45 45 37 48 48 37 20 52 31 17 16 46 1 55 50 31 2 33 44 1 5 2 5 85 32 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O W O O W W O W O O O W O O W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">200</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="42">3.32 3.17 2.93 2.80 2.73 2.50 2.39 2.36 2.23 2.03 1.99 1.98 1.92 1.92 1.87 1.84 1.82 1.77 1.73 1.68 1.60 1.58 1.55 1.53 1.53 1.45 1.38 1.37 1.35 1.32 1.31 1.30 1.22 1.22 1.21 1.11 1.09 1.09 1.06 1.06 1.04 1.01</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:x P:y D:xy P:x P:z D:xy P:z D:xz P:y P:y P:x P:y D:xy P:y P:z D:z2 P:y D:xy P:z P:y D:z2 P:z P:y P:x D:xy D:xz P:y P:z P:y D:xy P:y D:yz D:yz D:yz P:x P:y D:xz P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.00 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.00 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="42">99 67 66 81 10 97 63 14 96 11 82 49 58 92 6 68 61 8 89 102 74 59 12 91 69 70 103 15 63 57 72 11 91 13 102 7 81 62 9 90 74 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">O O O O W O O W O W O O O O W O O W O Tc O O W O O O Tc W O O O W O W Tc W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">201</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.92 5.71 5.64 5.22 4.61 4.17 3.84 3.03 2.91 2.90 2.68 2.68 2.29 2.27 2.26 2.02 1.37 1.30 1.23 1.23 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">P:z P:z P:x P:y P:y P:x D:z2 P:y D:x2-y2 P:y D:x2-y2 D:xz D:z2 D:xz P:z P:x P:z P:y D:xy P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.00 1.00 1.00 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">68 56 49 81 69 63 102 74 102 63 103 103 103 102 82 82 49 76 12 74 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O Tc O Tc O Tc Tc Tc Tc O O O O W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.361</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">202</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.35 6.22 6.04 4.00 3.14 2.92 2.50 2.08 1.90 1.84 1.79 1.77 1.66 1.64 1.52 1.50 1.39 1.35 1.33 1.27 1.22 1.22 1.20 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 P:z P:x P:x P:x P:x P:x P:y P:z D:z2 P:z D:xy D:xz D:yz P:z P:y D:xy P:x P:z P:x P:y P:y P:y D:xz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 10.371 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</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 0.80 1.33 0.80 0.80 0.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">45 48 48 45 29 52 31 75 50 4 36 19 18 106 26 33 3 26 45 39 36 46 48 4 17 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O W W P O O W O O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">203</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.67 7.55 3.95 3.82 3.65 3.41 3.23 2.82 2.09 2.09 2.04 1.78 1.78 1.65 1.50 1.44 1.41 1.39 1.36 1.22 1.09 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:y P:y D:yz P:x P:y P:y P:z D:x2-y2 P:x P:x P:x P:x P:x P:z S P:y P:z D:xy P:z S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.493 -9.089 -9.089 -4.492 -9.089 -24.020 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">39 98 24 2 27 37 39 55 5 42 37 40 44 45 45 105 35 35 17 32 98 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O O W O O O O O O H O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">204</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.14 3.06 3.04 2.91 2.66 2.41 2.18 2.17 2.09 2.07 2.04 1.98 1.96 1.90 1.87 1.86 1.86 1.81 1.77 1.76 1.66 1.60 1.51 1.47 1.45 1.40 1.28 1.13 1.08 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:x P:y P:y P:z P:x P:y P:x P:x P:x D:xy D:z2 P:x P:z P:y D:z2 P:y P:z P:x D:xz P:y P:y P:z P:y P:y P:y P:x P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 0.80 1.33 1.33 1.33 1.00 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">37 83 37 39 48 40 94 48 42 45 1 16 24 22 51 100 98 50 55 16 35 33 52 28 83 50 95 31 83 45 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O W W O O O Tc O O 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">-10.273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">205</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.14 4.79 4.44 4.19 3.27 3.05 2.71 2.68 2.63 1.99 1.89 1.61 1.54 1.52 1.48 1.31 1.25 1.18 1.15 1.09 1.04 1.04 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:z P:z P:x P:y P:y D:xz P:y P:z P:x D:yz P:z P:z P:z P:y D:yz P:z D:x2-y2 D:z2 D:yz D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</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 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">49 82 71 68 56 71 72 73 103 57 80 60 102 73 81 89 78 10 58 15 10 12 12 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O Tc O O O Tc O O O O W O W W W W 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">206</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.07 7.50 4.55 3.83 2.99 2.97 2.87 2.72 2.71 2.11 2.11 1.96 1.92 1.70 1.60 1.55 1.53 1.33 1.23 1.15 1.05 1.03 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:z P:y P:z P:y P:x P:y P:y P:x D:z2 P:z P:x D:xz D:xy D:x2-y2 P:y D:x2-y2 P:x P:x D:xz P:z D:yz P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</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 1.00 1.33 1.33 1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">34 94 95 39 42 83 35 44 101 42 48 100 100 101 40 100 45 83 101 28 3 94 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O Tc O O Tc Tc Tc O Tc O O Tc O W 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">207</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.20 4.52 4.01 3.62 3.49 3.34 2.80 2.34 1.65 1.55 1.55 1.51 1.51 1.42 1.39 1.27 1.17 1.14 1.13 1.11 1.11 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 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y P:y P:z P:x P:y P:z D:z2 P:x P:y P:z P:y P:y D:xy P:y D:yz D:yz D:z2 P:z P:z P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</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 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">76 73 81 71 71 63 63 80 102 74 88 91 72 67 103 73 11 15 12 99 92 69 10 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O Tc O O O O O Tc O W W W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">208</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.09 6.65 4.73 3.22 2.42 2.41 2.01 1.97 1.96 1.90 1.81 1.81 1.75 1.70 1.65 1.55 1.46 1.43 1.33 1.30 1.30 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:y P:x P:x P:x P:x P:x D:z2 P:z P:z P:y P:y P:z P:z P:x D:xz D:yz D:xy D:x2-y2 P:x P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 10.371 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 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 0.80 0.00 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">80 76 80 76 62 96 73 14 99 76 80 90 70 71 91 8 107 9 13 71 59 7 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W O O O O O O O W P W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.165</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">209</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.04 4.71 4.46 3.70 3.19 2.67 2.40 2.31 2.26 2.22 2.12 2.11 1.81 1.75 1.65 1.50 1.38 1.37 1.35 1.33 1.31 1.21 1.20 1.10 1.09 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">P:x P:x P:x P:z P:x D:z2 P:y P:z D:xy P:x P:y P:z D:xy P:z P:y D:xy P:z P:x P:z D:yz P:y P:x P:y D:xz P:x D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 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 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">48 45 37 48 39 16 51 45 1 28 22 32 16 50 33 5 41 22 37 19 79 85 45 20 46 18 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O W O O W O O O W O O W O O O W O O O W O W 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">210</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.96 7.44 2.76 2.54 2.52 2.40 1.93 1.86 1.83 1.73 1.51 1.48 1.45 1.39 1.35 1.35 1.32 1.25 1.24 1.14 1.07 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:x P:y P:z P:x D:z2 P:y P:z P:y P:z P:z P:y P:x P:y D:xy P:y P:x P:y P:z P:z P:y D:xy D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.00 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="23">80 73 71 76 6 97 73 71 80 96 91 77 80 107 92 63 96 68 76 62 6 11 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O O O O O O O O P 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">-10.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">211</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.92 4.62 4.57 4.13 3.98 3.57 3.37 3.26 3.17 2.59 2.56 2.00 1.86 1.71 1.62 1.53 1.33 1.29 1.18 1.17 1.14 1.06 1.03 1.03 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:x D:xz D:xy P:z P:x P:y P:z P:x P:y P:y D:xy P:z P:x P:z P:y P:y P:y P:y D:xy P:y D:yz P:x D:xz P:z P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 0.80 0.80 1.33 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 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">50 1 16 28 33 22 52 32 55 52 20 31 51 48 94 83 31 37 4 26 1 83 17 24 45 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O W W O O O O O O O W O O O O O O O W O W O W 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">212</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.84 3.16 3.05 2.97 2.81 2.66 2.46 2.22 2.18 2.12 2.10 2.04 1.82 1.77 1.74 1.72 1.59 1.53 1.51 1.43 1.41 1.40 1.32 1.29 1.28 1.23 1.18 1.16 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:y P:z P:z P:x P:z P:x P:x P:y P:y D:xy D:z2 P:x P:z D:xz P:x D:z2 P:z P:x D:z2 P:y P:z P:x D:xz P:x P:z P:z D:xz D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 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="30">34 94 31 24 33 42 36 42 75 83 3 18 29 26 5 51 19 29 25 2 55 39 44 1 24 22 95 4 5 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W W O O W O W O O W O O 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">-10.094</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">213</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.91 5.58 3.73 3.12 2.90 2.80 2.38 2.31 1.98 1.93 1.92 1.77 1.74 1.65 1.50 1.48 1.45 1.38 1.28 1.14 1.07 1.05</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:z P:x P:x P:y P:z D:xy P:x P:z P:z P:y P:z P:x P:y P:x P:x D:xy D:xz P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</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 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="22">76 71 76 80 73 72 66 11 68 80 73 67 86 64 76 81 61 8 13 88 91 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O 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">-10.062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">214</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.61 5.02 3.90 3.27 3.15 2.61 2.45 2.38 1.97 1.80 1.73 1.63 1.54 1.47 1.36 1.35 1.30 1.25 1.15 1.11 1.10 1.07 1.05 1.05 1.05 1.03 1.02 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:x P:y P:x P:z P:y P:x P:x D:xy P:y P:z P:y P:x D:yz P:y P:z P:y P:z P:z P:y P:z S D:xy D:z2 P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">34 42 94 83 95 35 27 44 17 83 94 40 36 20 33 50 26 42 75 84 25 101 18 3 40 52 34 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O W O O O O W O O O O O O O Tc W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.040</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">215</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.67 5.35 5.31 4.14 3.87 3.17 2.98 2.91 1.86 1.78 1.53 1.44 1.41 1.39 1.31 1.30 1.22 1.22 1.13 1.10 1.07 1.06 1.04 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">P:z P:x P:y P:y P:z P:z P:y P:x P:y S P:y P:z P:y P:y P:x P:y P:z P:x P:z P:y P:z D:xz D:xy S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -5.054 -4.492</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 2.00 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 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">68 71 81 63 73 49 73 49 76 103 69 56 90 74 80 57 59 82 82 71 80 8 13 102 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O Tc O O O O O O O O O O O W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">216</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.99 5.56 4.80 4.20 3.84 3.59 3.09 3.06 2.68 2.47 2.21 2.16 2.13 2.04 2.01 1.67 1.65 1.61 1.49 1.38 1.36 1.24 1.23 1.15 1.11 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 D:xz P:z P:x P:z P:z P:x P:y D:xy P:y P:y P:y D:xy D:xz P:z D:xz P:y D:xy P:x D:x2-y2 D:xy P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 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="26">67 99 11 91 66 96 61 97 96 6 89 92 91 10 6 57 15 97 11 57 6 14 92 59 69 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O O O O O O W O O O W W O 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">-9.905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">217</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.51 3.19 3.12 3.06 2.82 2.77 2.72 2.63 2.30 2.16 2.09 2.02 2.00 1.94 1.85 1.64 1.57 1.48 1.46 1.40 1.35 1.28 1.24 1.24 1.21 1.19 1.18 1.17 1.14 1.13 1.08 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">P:x P:y P:z D:x2-y2 P:z P:x P:y D:yz P:y P:x P:z D:z2 P:y D:xy D:yz D:z2 P:y P:y D:yz D:z2 P:z D:xz P:x P:z P:z P:x P:z D:xy P:y P:y D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">36 36 79 19 36 25 41 5 51 83 32 4 33 20 4 19 42 44 20 16 50 4 42 94 42 29 47 4 34 21 19 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O W O O O W O O O W O W W W O O W W O W O O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">218</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">2.94 2.90 2.73 2.62 2.34 2.26 2.15 2.06 2.05 2.04 2.01 1.96 1.94 1.81 1.77 1.72 1.66 1.57 1.49 1.49 1.39 1.31 1.29 1.25 1.25 1.23 1.18 1.13 1.13 1.10 1.08 1.05 1.04 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:x D:yz P:x P:z P:z P:z P:z P:y D:z2 D:z2 P:z P:y P:x D:z2 P:y P:z D:xy P:z D:z2 P:x D:xy P:y P:z D:xy P:y D:yz D:x2-y2 D:xy P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">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 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 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="34">89 70 10 60 62 57 91 81 68 12 8 58 59 62 13 96 99 7 90 15 67 14 67 92 9 90 15 7 13 63 96 58 62 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O W O O O O O O W W O O O W O O W O W O W 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">-9.866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">219</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.11 3.04 2.95 2.78 2.53 2.41 2.36 2.33 2.31 2.26 2.08 2.01 1.98 1.75 1.72 1.72 1.62 1.38 1.28 1.25 1.22 1.21 1.15 1.15 1.12 1.11 1.11 1.10 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">D:x2-y2 P:y P:z P:z D:z2 P:y P:y D:yz P:z P:y D:z2 P:z P:y P:x P:z D:x2-y2 D:xy P:x P:x P:y D:z2 D:xy P:x P:y P:y D:yz P:x D:x2-y2 D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 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 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">18 29 29 94 3 34 31 17 27 22 17 52 27 29 28 2 2 53 85 95 18 3 46 24 35 3 36 16 5 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W O O O W O O W O O W O O O O W W O O O W W O O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">220</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.21 3.77 3.66 2.93 2.78 2.38 2.26 2.09 2.03 1.99 1.93 1.85 1.84 1.82 1.81 1.78 1.77 1.74 1.66 1.56 1.56 1.46 1.34 1.25 1.23 1.13 1.11 1.11 1.11 1.08 1.06 1.05 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:yz P:y P:z P:y P:x P:y P:y P:y P:z D:x2-y2 P:y D:yz P:z P:x P:z P:z P:x P:z D:xy D:xy P:x P:y D:z2 D:xy D:x2-y2 D:yz P:x P:y D:xy P:z D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</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 1.33 0.80 1.33 1.00 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 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">102 68 81 49 70 56 62 82 69 8 91 103 63 63 96 62 62 74 14 11 58 92 13 12 9 8 93 97 10 60 9 13 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">Tc O O O O O O O O W O Tc O O O O O O W W O O 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">-9.727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">221</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.95 2.09 1.93 1.89 1.85 1.85 1.78 1.77 1.67 1.50 1.46 1.41 1.38 1.37 1.37 1.34 1.34 1.33 1.29 1.28 1.25 1.23 1.21 1.20 1.19 1.17 1.12 1.12 1.10 1.07 1.05 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:yz P:x D:z2 P:y P:y D:x2-y2 P:x P:x P:z D:x2-y2 D:x2-y2 P:z D:x2-y2 D:yz P:z P:z D:xz P:z P:y P:y P:y D:z2 P:y D:xy P:y D:z2 D:xz P:z P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">15 58 7 57 67 8 70 63 99 12 9 89 6 10 82 78 14 65 91 62 97 13 74 10 70 11 10 49 62 23 49 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W O W O O W O O O W W O W W O O W O O O O W O W 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">-9.658</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">222</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.81 4.34 3.22 3.13 2.95 2.39 2.26 2.07 2.00 1.93 1.88 1.80 1.79 1.68 1.58 1.56 1.49 1.42 1.37 1.33 1.29 1.21 1.17 1.13 1.12 1.11 1.09 1.08 1.08 1.07 1.07 1.06 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:y P:z D:xz D:xy P:x D:xy P:x P:y P:y D:x2-y2 P:y P:y D:z2 P:x P:z D:xy P:z D:x2-y2 P:x P:z D:xz P:y D:x2-y2 P:y D:z2 P:y P:y D:z2 P:z D:xz P:z D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">28 22 16 1 46 3 85 85 75 2 33 31 17 51 50 19 46 1 52 26 18 26 16 24 16 27 30 1 84 4 45 5 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W W O W O O O W O O W O O W O W O O W O W O W O O W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.589</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">223</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.91 4.81 4.39 2.83 2.56 2.20 2.19 2.08 2.06 1.99 1.89 1.88 1.88 1.58 1.48 1.43 1.40 1.39 1.39 1.33 1.30 1.29 1.26 1.25 1.22 1.22 1.17 1.15 1.12 1.09 1.08 1.05 1.05 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:x P:z P:x D:xz P:z P:x P:x P:z D:xy P:y P:x P:y P:z P:y D:xz D:xy P:z D:yz P:x P:z D:xy P:y D:z2 P:z D:z2 D:z2 D:z2 P:x P:x P:x D:x2-y2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">39 84 39 95 17 30 43 35 46 19 51 85 85 43 53 4 1 25 16 79 51 2 75 16 26 17 1 3 48 26 31 18 32 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O W O O O O W O O O O O W W O W O O W O W O W W W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">224</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.42 2.94 2.70 2.50 2.49 2.37 2.22 2.21 2.12 2.07 2.03 1.83 1.80 1.76 1.73 1.71 1.67 1.67 1.64 1.63 1.44 1.41 1.39 1.37 1.34 1.23 1.19 1.17 1.14 1.14 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:x P:y P:z P:z P:y P:y D:xy D:z2 P:z P:z P:x P:y P:x D:xy P:y P:x D:x2-y2 P:x P:y P:y P:x D:yz D:z2 D:z2 D:xy P:z P:y P:z D:x2-y2 P:y P:x D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">27 52 94 31 34 32 17 19 29 83 51 50 36 5 84 25 2 43 28 42 40 20 4 5 4 25 29 79 18 44 44 3 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O W W O O O O O W O O W O O O O W W W W O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">225</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.77 4.45 3.92 3.89 3.07 2.98 2.92 2.69 2.27 2.21 2.20 2.13 1.94 1.89 1.86 1.77 1.76 1.49 1.48 1.40 1.39 1.29 1.22 1.06 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:x D:xz D:x2-y2 P:x D:xy P:z P:z P:y P:y P:x D:yz P:x D:xy P:x D:xy P:z P:y D:xz D:xy P:x P:y P:y P:z P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">29 3 18 53 18 22 27 27 28 94 17 30 2 34 3 30 95 4 19 79 53 84 35 30 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O W W O W O O O O O W O W O W O O W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">226</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.12 4.45 3.86 3.35 2.69 2.56 2.46 2.19 2.11 1.86 1.86 1.84 1.58 1.54 1.48 1.43 1.36 1.23 1.19 1.18 1.16 1.15 1.12 1.09 1.09 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:y P:y P:z P:y P:z D:x2-y2 P:z D:xz P:z P:x D:z2 P:z P:z D:xz D:yz D:yz P:x P:y P:y D:z2 P:y P:y D:xy D:yz D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 47 85 46 50 16 32 4 37 41 1 21 26 3 4 1 26 21 41 20 51 29 3 20 16 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O W O O W O O W W W O O O W O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">227</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.22 3.21 3.15 3.03 2.97 2.97 2.94 2.90 2.46 2.44 2.29 2.18 2.03 1.80 1.77 1.61 1.58 1.53 1.25 1.24 1.17 1.16 1.16 1.10 1.09 1.09 1.07</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 D:z2 P:z D:yz D:yz P:y P:z P:z P:z P:y P:z P:x P:z D:xy P:z P:y D:xz P:y D:xz P:y P:x D:xy D:x2-y2 D:xy P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 0.80 1.33 0.80 0.80 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 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="27">25 19 79 5 20 33 21 47 53 21 37 25 25 20 36 75 18 51 20 27 47 5 19 18 36 41 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O W O W W O O O O O O O O W O O W O W 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">-9.498</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">228</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.70 2.62 2.44 2.29 2.26 2.12 2.10 2.04 1.86 1.84 1.62 1.60 1.55 1.54 1.52 1.46 1.42 1.40 1.39 1.36 1.28 1.27 1.24 1.22 1.18 1.18 1.14 1.13 1.12 1.04 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:y P:y P:z D:z2 P:y D:z2 P:y P:z P:z P:z D:yz P:x P:z D:xz P:y P:y D:xz P:y D:xy P:y D:xy D:x2-y2 P:y P:y D:z2 P:z P:y P:z P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">97 66 67 99 11 57 6 77 92 88 78 15 87 77 6 97 58 10 54 9 91 15 12 61 90 7 96 88 89 59 23 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O W O W O O O O W O O W O O W O W O W W O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.470</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">229</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.35 2.63 2.44 2.40 2.26 1.94 1.93 1.92 1.91 1.88 1.85 1.85 1.80 1.74 1.69 1.67 1.63 1.52 1.51 1.48 1.47 1.41 1.38 1.35 1.34 1.32 1.27 1.26 1.26 1.24 1.21 1.20 1.15 1.15 1.11 1.09 1.01</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:x D:z2 P:z P:y P:y P:y P:z P:z D:xz P:y D:xy P:z P:y P:x P:x P:z P:z D:z2 D:xy P:y P:x P:x D:xy P:y P:y P:z D:z2 P:x D:yz P:y D:z2 D:yz D:yz P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 0.80 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 1.00 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.00 1.33 0.80 1.00 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">62 9 92 56 61 96 91 65 13 86 8 69 49 93 81 70 63 14 102 82 60 77 13 68 99 66 6 88 102 97 12 103 10 74 97 66 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O W O O O O O O W O W O O O O O O W Tc O O O W O O O W O Tc O W Tc W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">230</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">2.13 1.97 1.55 1.53 1.48 1.47 1.31 1.28 1.26 1.25 1.22 1.18 1.16 1.14 1.10 1.08 1.06 1.05</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 D:yz P:z P:y D:xy P:y D:xz D:xz P:y P:x D:xy P:z P:z D:xz P:z P:x P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">65 5 93 90 9 92 8 9 63 81 8 87 47 13 63 68 60 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O W O O W O W W O O W O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">231</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">2.73 2.48 2.45 2.24 2.23 2.13 2.03 1.94 1.91 1.82 1.81 1.80 1.80 1.74 1.73 1.65 1.65 1.56 1.37 1.36 1.32 1.28 1.22 1.22 1.20 1.19 1.17 1.16 1.15 1.11 1.11 1.07 1.06 1.06 1.06 1.06 1.06 1.04 1.04 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 1 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:y P:y P:y P:y P:z P:y D:yz P:z D:xy P:z P:x P:y P:y P:x D:xy P:x D:xy D:yz P:z P:z P:z D:z2 D:yz P:x P:z D:yz P:y P:y D:xz P:y D:xz P:y P:z P:z P:z P:y P:x P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">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 1.00 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">71 65 78 92 80 60 9 71 6 77 88 61 97 38 102 56 13 12 54 59 78 15 7 71 93 10 74 99 10 91 12 23 82 87 61 58 86 60 73 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">O O O O O O W O W O O O O O Tc O W W O O O W W O O W O O W O W 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">-9.421</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">232</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.44 2.97 2.17 2.03 1.94 1.81 1.75 1.66 1.64 1.55 1.49 1.45 1.43 1.39 1.37 1.25 1.22 1.19 1.13 1.12 1.06 1.03 1.03 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">P:x P:z P:z D:yz P:y D:yz P:x P:z D:yz P:x D:xy P:y D:yz D:xy P:y P:y P:z P:z P:z P:z P:x D:yz P:z P:x D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 0.80 1.33 0.80 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 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">71 66 58 14 87 12 60 87 10 38 15 88 15 7 23 71 54 74 86 61 69 11 38 78 20 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O W O O W O W O W W O O O O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">233</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.86 4.35 4.10 4.02 3.85 3.65 3.10 3.06 2.83 2.50 2.02 1.67 1.58 1.57 1.50 1.48 1.37 1.37 1.27 1.26 1.22 1.22 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:xy D:xz P:z P:y P:z D:z2 P:x P:x P:y P:z P:x P:z P:z D:x2-y2 P:x D:xy P:y P:y P:y D:xz D:x2-y2 D:yz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 1.33 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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">5 20 84 24 55 17 47 21 43 44 95 21 43 2 55 17 25 40 84 2 20 2 25 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O O W O O O O O O O W O W O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">234</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">3.06 2.54 2.02 1.74 1.69 1.50 1.42 1.40 1.36 1.23 1.15 1.09 1.08 1.06 1.03 1.01 1.00</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:xy P:x P:y P:y D:xz P:z D:xz D:x2-y2 P:x P:x P:x P:z P:x D:xy P:x P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">5 47 24 40 13 43 14 2 68 86 79 39 24 4 28 47 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W O O O W O W W O O O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">235</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.50 4.23 4.15 4.00 3.56 3.49 2.60 2.57 2.21 1.97 1.77 1.66 1.65 1.65 1.60 1.40 1.40 1.23 1.20 1.16 1.16 1.13 1.09</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:y P:z P:x P:x D:xz D:x2-y2 P:x D:xy P:y D:x2-y2 D:yz P:z D:z2 P:x P:z D:xy P:z P:z D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089</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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">23 56 73 73 54 69 7 12 77 11 93 8 6 54 7 88 64 9 88 92 103 90 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W W O W O W W O W O O W O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">236</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">2.61 2.18 1.82 1.51 1.37 1.30 1.27 1.25 1.20 1.20 1.08 1.05 1.01</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:x P:y D:x2-y2 D:z2 D:xz P:z P:x P:y P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">0.80 1.33 1.33 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="13">15 78 57 6 11 3 65 87 97 30 96 89 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">W O O 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">-9.311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">237</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">3.71 3.29 2.20 2.17 1.51 1.47 1.44 1.42 1.38 1.34 1.22 1.14 1.13 1.13 1.09 1.09 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:z P:y P:x D:z2 D:x2-y2 P:y D:xy D:xy P:z P:z P:y P:z P:x P:x P:x P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">84 43 37 17 2 29 2 19 85 35 34 27 83 79 36 32 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O W W O W W 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">-9.307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">238</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">3.46 2.81 2.34 2.23 2.21 1.86 1.79 1.75 1.64 1.55 1.40 1.37 1.37 1.34 1.28 1.18 1.15 1.14 1.09 1.07</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 D:xz P:z P:x P:x P:z P:z P:z D:xy P:x P:x P:x P:x P:x P:y D:xz P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">27 4 29 28 41 42 52 41 15 22 78 75 79 85 57 19 88 79 27 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O W O O O O O O W O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">239</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.91 2.20 2.17 1.84 1.72 1.67 1.66 1.63 1.59 1.44 1.35 1.30 1.29 1.26 1.23 1.23 1.21 1.20 1.18 1.17 1.13 1.07 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 D:xz D:xy P:y P:z D:z2 D:x2-y2 P:x D:xy P:z P:z P:x P:z D:x2-y2 P:z P:x P:z P:z P:x D:xy P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">87 62 10 13 64 82 7 8 82 15 92 23 60 35 12 89 78 27 93 79 19 29 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W W O O W W O W O O O O W O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.293</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">240</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.90 4.97 4.69 4.37 4.04 3.39 2.68 2.35 2.22 2.12 2.07 1.96 1.89 1.84 1.83 1.77 1.49 1.20 1.19 1.18 1.11 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:x P:y P:x P:x P:x P:x P:y P:z P:z D:x2-y2 P:y P:y P:z D:z2 P:y P:z P:y P:z P:x D:xz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</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 0.80 1.33 1.33 1.33 0.80 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="22">22 28 31 28 27 52 32 22 51 17 44 95 40 2 52 33 50 35 35 5 20 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O W O O O W 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">-9.259</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">241</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">2.89 2.63 2.28 1.56 1.50 1.47 1.42 1.41 1.36 1.27 1.26 1.25 1.21 1.18 1.10 1.10 1.08 1.06 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:x P:x P:x P:z D:z2 P:z P:x P:x P:z P:x P:y P:y P:z P:x P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">53 22 38 30 49 10 87 48 82 51 87 27 25 69 46 68 23 94 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O 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">-9.255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">242</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">3.54 2.33 2.07 1.87 1.85 1.84 1.78 1.77 1.63 1.60 1.46 1.42 1.32 1.31 1.19 1.13 1.08 1.06 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:x D:xz P:y P:y P:x P:x P:z D:z2 P:x D:xy P:z P:x P:x P:y D:yz D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 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 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">30 53 3 78 25 28 74 23 7 38 15 32 34 45 27 15 1 85 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O W O O O O O W O 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">-9.200</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">243</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">15.68 14.28 8.68 8.64 3.67 2.29 1.94 1.73 1.45 1.29 1.26 1.16 1.14 1.05 1.04 1.04 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:z P:y P:z P:y P:x P:z P:x P:x P:y P:x D:xz P:x P:z P:y D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</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 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">51 32 33 50 22 28 31 28 22 32 5 52 25 45 4 28 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.190</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">244</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.77 7.68 3.58 2.95 2.35 2.20 2.00 1.97 1.83 1.82 1.70 1.59 1.56 1.55 1.55 1.51 1.46 1.41 1.40 1.35 1.30 1.12 1.10 1.05 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:y P:z P:z P:y P:z P:y D:yz P:y D:z2 P:x P:z P:y P:z P:x P:y P:x D:x2-y2 P:z D:yz P:z P:z D:xz D:xz P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.33 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="26">66 97 67 99 58 61 10 58 9 91 69 56 92 92 87 96 14 99 15 78 38 8 15 81 82 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O W O O O O O O O W O 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">-9.171</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">245</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.26 2.89 2.84 2.25 2.12 2.05 2.01 1.99 1.96 1.85 1.69 1.65 1.58 1.51 1.39 1.35 1.22 1.19 1.15 1.13 1.11 1.05 1.02 1.02 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:y P:y P:z D:xz P:y P:x P:z P:z P:x P:x P:z P:x P:z P:x D:xy D:yz P:z P:z P:y D:yz P:y P:x P:z P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 36 25 13 88 64 77 36 93 65 32 68 51 86 8 11 50 49 63 6 70 81 93 51 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O W O O O O O O O O O O W W O O O W O O O O W</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">246</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.30 3.99 3.98 3.84 3.82 3.72 3.68 3.37 2.81 2.77 2.75 2.75 2.53 2.08 2.04 1.99 1.89 1.67 1.47 1.28 1.20 1.11 1.10 1.09 1.06 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:z P:x P:x P:z P:x P:x P:y P:z P:y P:y P:y P:z D:x2-y2 D:z2 P:z P:z P:y P:y P:y P:z D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">27 29 79 27 41 28 52 48 31 22 45 29 79 41 47 21 19 4 32 43 25 51 85 46 4 84</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 W O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.154</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">247</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.23 3.14 2.54 2.51 2.37 2.30 2.26 2.01 1.98 1.89 1.81 1.74 1.71 1.67 1.61 1.43 1.41 1.35 1.33 1.30 1.27 1.22 1.17 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:x P:x P:y P:x P:z P:z D:xz P:x P:z P:z P:z P:x D:xy P:y D:yz P:x P:y P:y P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 36 93 64 58 30 25 36 13 53 50 66 58 68 8 70 11 81 33 97 51 77 70 43 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W O O O 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">-9.124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">248</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.75 2.62 2.38 2.17 2.14 1.98 1.87 1.86 1.69 1.56 1.44 1.33 1.31 1.30 1.23 1.22 1.21 1.17 1.12 1.09 1.09 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:x P:z P:x D:xz P:z D:x2-y2 P:x P:x P:y P:z D:z2 P:y D:z2 P:z P:y P:z P:y P:y P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 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 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">30 86 53 14 65 9 65 86 58 49 6 65 14 66 86 58 60 69 60 78 36 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O W O O O O W O W 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">-9.096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">249</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.45 3.14 2.73 2.65 2.54 2.52 2.45 2.36 2.28 2.28 2.25 1.99 1.89 1.80 1.79 1.76 1.66 1.42 1.40 1.37 1.34 1.30 1.29 1.25 1.20 1.15 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:y P:z P:y P:y P:z P:z P:x P:y P:z P:x P:x D:xy P:y P:z D:xy D:z2 P:x D:z2 P:x P:x P:y P:y D:z2 P:x P:y D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</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 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">39 52 43 84 30 53 94 29 39 85 22 28 17 34 31 3 2 47 18 84 25 83 46 3 31 43 5 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O W O O W W O W O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">250</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">7.55 6.47 4.68 4.66 3.48 2.89 2.70 2.17 2.02 1.55 1.54 1.35 1.32 1.30 1.27 1.22 1.14 1.09 1.07</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:y P:z P:y P:x P:x P:z P:z P:x P:x P:z P:y D:yz P:x P:y D:xz P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">97 66 67 99 92 38 38 61 61 91 74 92 102 72 96 103 38 82 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O Tc O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.020</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">251</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.96 2.91 2.88 2.55 2.34 2.20 1.92 1.92 1.71 1.64 1.62 1.61 1.57 1.54 1.52 1.34 1.28 1.26 1.13 1.09 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:x P:x P:x P:z P:x P:y P:y P:z P:x P:y P:y P:x P:x P:y P:x D:z2 P:x D:xy P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">92 38 61 43 91 94 96 38 37 35 61 85 95 84 83 17 96 19 79 44 84</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 W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.011</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">252</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">3.84 3.61 3.57 3.24 2.74 2.44 1.96 1.60 1.41 1.33 1.28 1.27 1.25 1.19 1.14 1.07 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">P:x P:x P:y P:y P:z P:z P:x P:x P:z P:z P:z P:y D:xz P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">93 64 58 70 70 58 80 76 99 66 97 66 13 86 55 97 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.008</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">253</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.99 2.53 2.32 2.05 1.74 1.71 1.66 1.62 1.54 1.48 1.43 1.41 1.38 1.34 1.27 1.25 1.25 1.22 1.17 1.16 1.16 1.09 1.06 1.03 1.02 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:z P:x P:x P:z P:x P:z P:y D:xy P:z P:z P:z P:y D:xy P:x P:x P:y P:x P:y P:x P:x P:z P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">55 95 44 32 24 93 34 46 20 28 35 75 26 4 51 24 70 64 58 50 33 70 53 30 58 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O W O O 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">-8.975</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">254</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">4.75 4.58 3.54 3.12 2.70 2.67 2.57 1.79 1.73 1.41 1.37 1.31 1.16 1.07</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 P:x P:y P:x P:y P:z P:x P:z P:x P:z P:z P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</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 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">38 92 61 61 96 38 91 92 62 43 91 96 103 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-8.950</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">255</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.05 4.05 3.81 2.96 2.88 2.86 2.63 2.37 2.20 2.08 1.90 1.87 1.78 1.59 1.52 1.42 1.41 1.27 1.26 1.16 1.16 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:y P:y P:y P:x P:y P:z P:x P:x P:z P:x D:xy P:z P:z P:y P:y 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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">88 23 76 71 78 60 60 61 62 96 7 86 87 54 61 38 60 97 58 67 68 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O 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">-8.946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">256</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">9.41 6.80 5.37 4.96 3.71 3.68 2.96 2.84 2.64 2.62 2.44 1.46 1.33 1.27 1.23 1.16</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:x P:y P:z P:z P:x P:x P:z P:z P:z P:x P:x D:xz P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">60 92 62 60 54 91 61 87 80 62 96 71 12 77 86 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">257</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.61 5.08 3.95 3.94 3.44 3.10 2.73 2.56 2.54 2.27 1.62 1.61 1.61 1.60 1.52 1.51 1.45 1.45 1.41 1.23 1.22 1.21 1.14 1.10 1.10</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:z D:xz P:x P:x D:xy P:z P:y P:y P:x P:z P:x P:x D:x2-y2 D:xz D:yz P:y P:y P:y P:x P:y D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">21 44 42 95 20 47 95 5 84 85 47 40 34 44 41 17 4 17 34 26 30 53 22 5 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O W O O W O O O O O O O W W W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">258</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.34 4.80 4.69 4.38 3.88 3.60 2.97 2.62 2.02 1.89 1.86 1.81 1.62 1.59 1.56 1.50 1.44 1.43 1.31 1.28 1.13 1.11 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:y P:x P:y P:y P:z D:x2-y2 P:x P:z P:x P:z P:x P:z D:yz P:z P:x D:xy D:xz D:z2 P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">44 40 35 43 85 95 2 47 46 42 53 30 34 2 39 21 5 18 20 83 83 35 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W O O O O O O W O O W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">259</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.44 2.79 2.68 2.29 2.26 1.60 1.52 1.37 1.33 1.33 1.31 1.26 1.23 1.15 1.15 1.14 1.14 1.09 1.09 1.09 1.08 1.04 1.03 1.03 1.01 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:z P:x P:x P:z P:y D:x2-y2 P:x P:x P:z P:y P:y P:x P:y P:y P:z P:x D:xy P:x P:z P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">54 78 40 23 69 83 46 46 12 68 78 94 35 64 44 40 65 49 87 15 86 73 82 73 86 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O W O O O O O O O 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">-8.882</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">260</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.54 2.32 2.09 2.03 1.92 1.86 1.85 1.82 1.70 1.52 1.50 1.48 1.47 1.40 1.36 1.35 1.30 1.25 1.25 1.23 1.22 1.19 1.11 1.10 1.09 1.08 1.08 1.06 1.05 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 D:x2-y2 P:z D:x2-y2 P:z P:y P:x P:y P:y P:z P:z P:y D:xy P:z P:x P:z P:y P:y D:xy P:x P:x P:y D:xz P:z P:y P:x P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">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 0.80 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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">69 56 12 23 7 93 65 62 54 81 60 46 64 9 82 78 74 74 69 13 87 54 63 8 97 85 38 58 46 60 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O W O W O O O O O O O O W O O O O O W O O O 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">-8.871</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">261</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">6.09 5.24 4.15 4.01 3.08 2.57 2.34 1.64 1.63 1.58 1.40 1.40 1.33 1.28 1.21 1.14 1.12</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:y P:z P:y P:y P:x P:y P:y P:z P:z P:z P:y D:z2 P:x D:xz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</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 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">40 35 85 43 94 83 79 85 84 30 46 31 17 41 4 40 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O 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">-8.868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">262</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.18 5.03 3.19 2.96 2.86 2.83 2.76 2.66 2.61 2.25 1.87 1.71 1.40 1.23 1.22 1.19 1.14 1.10 1.04 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:z P:y P:z P:y P:z P:y P:z P:x P:x P:z D:yz P:z P:z D:x2-y2 P:x P:x D:x2-y2 P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</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 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">46 46 53 84 85 85 79 41 30 44 30 1 52 95 3 50 43 1 41 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O W O O W O O W O W</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">263</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.69 3.48 2.88 2.74 1.89 1.87 1.74 1.71 1.63 1.56 1.36 1.33 1.28 1.26 1.20 1.16 1.10 1.07</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 D:xy P:y P:z P:x P:y P:y D:xz P:x P:z P:z P:z D:xz D:x2-y2 P:x D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">79 94 19 53 53 34 83 85 19 69 83 34 84 18 18 41 4 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O W O O O O O W O O O O W W O W 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">264</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.03 2.94 2.82 2.64 2.31 2.26 2.00 1.93 1.91 1.89 1.82 1.76 1.60 1.57 1.56 1.48 1.33 1.27 1.24 1.11 1.06 1.02 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:x P:z P:z P:z D:xz P:x P:x P:x P:y P:y P:y D:z2 P:y P:z P:y P:y P:y P:x P:x P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">41 23 30 42 4 87 34 56 83 53 54 7 79 82 74 85 78 44 79 78 69 53 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O O O O O 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">-8.828</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">265</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.28 2.81 2.57 2.53 2.35 2.23 2.17 2.08 2.06 1.93 1.82 1.81 1.77 1.74 1.70 1.49 1.48 1.26 1.19 1.14 1.12 1.11 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:z P:z P:x P:y P:y P:z P:z P:x P:z P:y P:z P:z P:y P:y P:x P:x P:z D:xz P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">82 49 56 59 74 89 74 69 77 41 57 56 82 68 88 90 63 87 30 4 42 81 49</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 W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.812</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">266</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.09 4.52 4.45 3.40 2.82 2.64 2.09 1.96 1.90 1.84 1.83 1.75 1.70 1.65 1.64 1.63 1.58 1.54 1.50 1.49 1.44 1.38 1.30 1.27 1.26 1.25 1.17 1.13 1.10 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">P:x P:y P:z P:z P:y P:x P:x P:x P:y P:z P:y P:z P:z D:xz D:xy P:z P:x P:z D:xz P:y P:y P:z P:x D:xz D:yz P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">38 69 56 38 74 63 49 23 78 68 77 88 82 7 12 74 81 87 10 54 81 23 82 9 103 63 82 38 65 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O W W O O O W O O O O W Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">267</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.90 3.90 2.80 2.55 2.50 2.36 2.28 2.27 2.22 2.16 2.16 2.08 1.94 1.91 1.90 1.80 1.77 1.73 1.64 1.59 1.54 1.52 1.50 1.48 1.28 1.18 1.12 1.10 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:xz D:xy P:x P:x P:z P:z P:x P:x P:x P:x P:x P:y P:x P:z P:y P:y P:z P:z P:y P:y D:xz P:y P:x P:x P:y P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 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">16 1 46 29 22 95 84 51 50 43 33 35 32 52 34 31 40 94 28 44 1 43 25 85 42 83 30 85 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W O O O O O O O O O O O O O O O O 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">-8.788</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">268</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.61 2.35 2.32 2.21 2.20 2.17 1.79 1.78 1.76 1.53 1.52 1.47 1.43 1.40 1.38 1.29 1.29 1.26 1.25 1.21 1.21 1.21 1.19 1.16 1.05 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:x P:x P:y P:y P:z P:x P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x D:xz D:xz P:y P:x P:x P:y D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</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 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="26">93 82 38 85 53 63 49 56 46 64 65 79 69 81 74 60 68 8 13 49 65 63 69 9 18 8</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 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">-8.776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">269</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.95 5.71 4.41 3.66 3.48 2.95 2.87 2.86 2.74 2.16 2.08 1.97 1.91 1.83 1.69 1.64 1.51 1.48 1.38 1.37 1.34 1.25 1.21 1.20 1.07 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:y P:x P:x P:z P:x P:y D:xy P:z D:xz P:z P:z D:x2-y2 P:y P:x P:x P:z P:x P:z P:y P:z P:z P:z D:z2 D:x2-y2 P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">53 30 85 30 46 79 16 84 1 41 46 18 43 27 52 53 41 21 47 22 34 83 16 3 53 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O W O O W O O O O O O O O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">270</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.70 5.18 4.80 4.39 3.93 3.49 3.29 3.07 2.75 2.59 2.38 2.33 2.17 1.99 1.75 1.67 1.67 1.66 1.63 1.32 1.25 1.18 1.14 1.11 1.11 1.08 1.06 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:y P:y P:x P:x D:xy P:z P:z P:y D:xy D:yz P:y P:y D:xz P:z P:y P:y D:yz P:z D:x2-y2 P:z P:z D:x2-y2 P:x P:y P:z P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">43 84 30 84 53 3 43 53 28 17 2 85 31 18 52 22 46 17 85 18 30 95 2 30 35 22 43 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O W O O O W W O O W O O O W O W O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">271</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.41 2.51 2.39 2.39 2.22 2.09 1.98 1.80 1.77 1.72 1.67 1.63 1.50 1.47 1.45 1.42 1.30 1.30 1.29 1.27 1.18 1.16 1.15 1.08 1.05 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:y P:y P:x P:z P:y P:z P:x D:xy P:y D:x2-y2 P:x P:x P:y P:z P:z P:z P:x P:y P:x P:y P:x D:xz P:y D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">93 69 65 64 81 56 86 9 63 8 57 89 79 68 49 47 59 83 40 88 53 14 85 13 79 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W O W O 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">-8.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">272</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.39 4.17 2.90 2.14 1.82 1.64 1.63 1.50 1.50 1.43 1.35 1.33 1.31 1.20 1.19 1.14 1.07 1.06 1.04 1.04 1.04 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:y P:z P:x P:z P:x P:x P:z P:y P:x P:z D:yz P:x P:y P:z P:y P:z D:z2 P:x D:x2-y2 P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</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 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">79 41 44 46 34 41 42 30 42 56 4 86 85 53 93 85 1 85 16 46 21 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O W O O O O O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.11 3.38 2.76 2.61 2.34 2.30 2.22 2.14 2.13 2.08 1.89 1.89 1.85 1.80 1.65 1.64 1.48 1.40 1.38 1.38 1.37 1.27 1.24 1.23 1.19 1.13 1.09 1.04 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:x P:y D:xy P:z P:y D:xz P:z P:y P:y P:z P:z D:yz P:x P:x P:y P:y P:x P:z P:x P:z P:y P:x D:yz P:x D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">64 77 99 88 6 63 49 11 69 93 56 96 67 102 67 87 91 66 81 97 97 61 65 66 103 68 11 6 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O W O O W O O O O O Tc O O O O O O O O O O Tc O W W 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">274</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">2.97 2.71 2.42 2.40 2.27 2.20 2.10 2.10 2.06 2.03 1.98 1.96 1.94 1.80 1.80 1.79 1.62 1.60 1.46 1.44 1.39 1.36 1.33 1.30 1.29 1.26 1.26 1.25 1.15 1.14 1.11 1.07 1.07 1.06 1.05 1.05 1.04</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 D:z2 P:y P:z P:y P:x P:z P:z P:z P:x P:y P:y P:z P:y P:y P:z P:y P:x P:y P:x P:x P:z D:yz P:z P:y P:y P:z P:z P:z P:y P:z D:x2-y2 P:y P:x D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">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 1.33 1.33 0.80 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">88 13 77 81 68 49 64 78 56 63 70 93 70 59 89 57 69 97 58 87 64 92 7 90 87 91 91 96 61 67 58 8 92 82 10 66 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O W O O O O O O O O O O O O O O O O O O O O W O O O O O O O O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">275</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.59 6.89 4.20 4.12 2.87 2.85 2.83 2.81 2.74 2.58 2.53 2.24 2.21 2.02 1.86 1.84 1.84 1.83 1.80 1.45 1.41 1.38 1.10 1.06 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:y P:z P:y P:z D:yz D:yz P:y P:y D:z2 P:y P:z P:z P:z P:x D:yz P:x D:z2 P:y P:z P:x P:y P:y P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 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="26">41 79 21 47 4 20 32 33 19 85 46 50 51 40 5 44 4 36 21 83 25 46 37 42 36 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W O O 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">-8.689</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">276</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.90 4.65 4.14 3.24 2.55 2.48 2.33 1.98 1.83 1.82 1.78 1.68 1.52 1.45 1.44 1.39 1.36 1.20 1.20 1.04 1.04 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:y P:z P:z P:y P:z P:y D:xz P:z P:y P:z P:y P:z P:x P:x P:y P:x P:z P:y D:x2-y2 D:yz D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 1.33 0.80 1.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">77 77 88 88 87 78 6 74 93 63 49 86 23 64 65 93 65 82 11 103 11 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W O O O O O O O O O O O W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.669</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">277</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.78 6.76 6.51 6.03 3.55 3.22 2.23 2.22 2.10 2.06 2.00 1.98 1.86 1.60 1.45 1.45 1.40 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 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:y P:y P:z P:y P:y P:z P:x P:z P:z P:x P:y P:y P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">75 24 47 35 75 94 53 30 84 21 24 94 40 46 44 53 36 30</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">-8.656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">278</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.55 6.24 5.91 4.70 4.61 3.93 3.35 3.30 2.55 2.45 2.29 1.72 1.66 1.62 1.62 1.55 1.45 1.40 1.33 1.25 1.14 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:x P:x P:z P:y P:z P:z P:x P:z P:z P:z P:x D:xz P:x P:x P:x P:x D:x2-y2 P:y P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">26 55 95 53 21 34 30 26 30 55 43 100 42 53 44 47 3 26 85 43 34 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O Tc O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.614</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">279</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.75 6.03 5.55 4.40 3.67 3.33 2.94 1.87 1.83 1.79 1.73 1.53 1.52 1.47 1.41 1.39 1.39 1.29 1.22 1.10 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:z P:x P:y P:x P:x P:x P:z P:x P:z P:x P:x D:xz P:z P:y P:y P:z D:xy P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">79 41 30 47 84 75 53 21 26 84 51 41 19 34 94 43 79 4 45 24 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.608</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">280</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.17 5.05 4.84 4.48 3.46 3.43 3.40 3.10 3.02 2.84 2.52 2.34 2.07 1.94 1.92 1.90 1.54 1.45 1.33 1.27 1.21 1.17 1.09 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:z P:z P:y P:y D:yz D:z2 P:z P:x P:z P:z D:yz P:y P:x D:z2 P:y P:y P:z P:y P:z P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">78 65 65 88 15 9 99 77 87 86 9 87 88 6 77 86 70 93 97 64 58 66 78 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W W O O O O W O O 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">-8.605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">281</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.90 7.14 6.65 5.91 5.37 5.12 5.07 4.74 4.48 3.79 2.20 2.13 1.96 1.92 1.85 1.67 1.21 1.15 1.05 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:y P:y D:yz P:y P:z P:y D:yz P:y P:y D:z2 P:y D:z2 P:y P:y D:x2-y2 D:x2-y2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">88 86 87 86 14 65 77 78 10 67 70 11 66 6 58 97 11 14 88 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W O O O W O O W O W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">282</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.29 5.98 5.34 3.96 3.21 2.75 2.65 2.19 2.10 2.08 1.99 1.71 1.67 1.59 1.59 1.43 1.39 1.24 1.21 1.17 1.16 1.12 1.08</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:x P:z P:z P:x P:x P:z P:x P:x D:xz D:x2-y2 D:xy D:x2-y2 P:z P:x P:z P:z D:xz P:y D:z2 P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">77 93 88 64 88 62 77 56 60 64 6 6 11 8 78 92 23 68 11 64 11 93 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W W W W O O O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">283</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.67 8.71 7.98 5.44 4.67 4.28 4.05 2.80 2.75 2.28 2.04 1.72 1.33 1.15 1.13 1.10 1.09 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:z P:z P:y P:y P:x P:y P:x P:x P:x P:z P:x P:x P:z P:y P:x D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">21 41 47 43 84 79 43 26 53 84 30 44 26 53 75 20 34 40</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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.568</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">284</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.85 4.76 4.65 4.26 4.12 4.02 3.93 3.68 3.21 2.59 2.47 2.44 2.02 2.00 1.70 1.69 1.56 1.52 1.51 1.50 1.49 1.38 1.28 1.22 1.22 1.10 1.03 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:z P:x P:x D:xy P:x P:y P:z P:y D:xz D:yz P:y D:xy P:x D:x2-y2 P:y P:z D:yz D:yz P:z P:z P:y P:x P:z P:y D:x2-y2 P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">64 93 23 93 13 54 23 54 88 8 12 91 7 64 8 61 96 7 8 92 61 92 96 77 77 12 62 23 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O W O O O O W W O W O W O O W W O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">285</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.01 5.37 4.73 3.68 2.41 2.40 2.32 2.19 1.90 1.88 1.80 1.75 1.67 1.67 1.61 1.53 1.52 1.44 1.38 1.37 1.35 1.33 1.29 1.28 1.26 1.25 1.17 1.14 1.11 1.09 1.04 1.04 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:y P:z P:x P:x P:x P:x P:z D:xz P:z P:x P:y P:z P:z D:xz P:y D:xy D:xz P:x D:xy P:y P:x P:x P:x P:z P:x P:x P:z P:z D:xz P:x P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">65 86 90 59 57 86 63 9 90 89 54 23 57 13 49 14 10 78 15 69 97 82 66 59 74 65 56 68 14 81 87 87 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O W O O O O O W O W W O W O O O O O O O O O W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">286</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.39 5.33 4.14 4.08 3.69 3.35 3.16 1.99 1.82 1.81 1.57 1.55 1.50 1.43 1.41 1.35 1.22 1.20 1.16 1.14 1.10 1.10 1.05 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">P:y P:x P:z P:x P:y P:z P:x P:y P:x P:x D:x2-y2 P:x P:z P:x P:z P:x P:z P:y P:y P:y P:y P:x D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">54 38 87 23 78 23 54 65 89 63 7 77 86 73 38 57 89 23 62 64 74 88 12 56 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.468</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">287</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.55 6.01 5.83 5.53 5.37 3.82 3.36 3.09 2.89 2.77 2.64 2.33 2.29 1.95 1.67 1.63 1.45 1.34 1.22 1.17 1.09 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:z P:x P:z P:y P:x P:y P:x P:x P:z P:z P:y P:y P:z D:x2-y2 P:y D:z2 P:x P:y P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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="22">86 93 87 93 64 65 54 23 90 64 78 54 92 13 61 8 57 80 76 59 63 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O 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">-8.467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">288</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.29 6.24 4.87 4.43 3.84 3.60 3.27 2.69 2.49 2.26 1.87 1.87 1.74 1.63 1.51 1.42 1.39 1.35 1.12 1.12 1.10 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">P:y P:x P:x P:x P:z P:x P:z P:z P:y P:x P:x P:x P:x P:x S P:z P:x P:z P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">78 64 59 23 87 90 56 59 65 93 38 82 49 89 103 90 74 86 59 54 69 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">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">-8.426</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">289</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.45 5.36 5.34 5.22 5.01 4.91 3.97 3.93 3.08 2.92 2.36 2.22 2.19 2.16 2.15 2.00 1.86 1.78 1.76 1.55 1.54 1.48 1.46 1.41 1.33 1.32 1.16 1.12 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:y P:x P:y P:z P:x P:y P:z D:xy P:z P:x P:y D:xy D:yz P:y P:x D:x2-y2 D:xy P:y D:xz D:x2-y2 P:z P:x D:xz P:x P:z P:z D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492</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 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">46 30 43 84 53 85 27 43 3 27 84 52 1 2 28 22 2 17 53 16 17 22 31 18 28 31 30 17 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W O O O W W O O W W O W W O O W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.416</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.30 5.02 4.61 4.19 3.85 3.80 3.70 3.64 3.22 3.22 2.51 2.42 2.30 2.19 2.18 1.96 1.95 1.53 1.53 1.43 1.34 1.32 1.13 1.00</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:z P:z P:y P:z P:y P:x P:y P:x P:y P:x P:z P:y P:z P:x P:z P:x P:x P:z P:y P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">46 39 21 85 85 39 48 45 98 47 53 46 43 48 30 84 45 84 47 94 75 53 37 84</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">-8.395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">291</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.15 4.00 3.10 3.00 2.75 2.58 2.55 2.24 2.19 1.81 1.79 1.64 1.62 1.59 1.58 1.52 1.51 1.49 1.42 1.40 1.40 1.38 1.35 1.22 1.09 1.07 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:x P:x P:z P:x P:x P:x P:y P:x P:x P:x P:z P:z P:z P:y D:xy P:z P:z P:x P:y P:y P:z P:z P:z P:y P:y P:z D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">85 46 31 43 33 84 52 51 50 32 46 85 47 50 20 28 22 53 34 21 79 52 94 25 44 30 19 22</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 O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">292</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.33 4.84 4.43 4.30 3.24 2.97 2.78 2.65 2.64 2.57 2.32 2.15 1.88 1.81 1.78 1.77 1.73 1.65 1.63 1.52 1.49 1.46 1.40 1.31 1.08 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:x P:x P:y P:y P:x P:z P:y P:y P:x P:z P:z P:y P:z P:x S P:y P:z P:z P:x S P:x P:x P:y D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</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 2.00 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">72 71 69 78 23 80 88 76 54 56 77 81 68 57 102 77 93 87 73 103 93 89 54 102 87 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O Tc O O O O Tc O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.331</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">293</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.48 10.27 7.24 5.82 5.73 4.68 4.48 4.02 3.79 3.33 3.05 2.91 2.24 2.17 2.15 1.97 1.60 1.45 1.41 1.07</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:z P:y D:yz P:z P:z P:y D:yz P:y P:z P:z D:yz D:z2 P:y D:z2 D:z2 P:x P:y P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">21 47 41 20 46 79 85 5 79 85 41 4 16 46 19 1 47 25 79 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W O O O W O O O W W O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.274</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">294</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.98 7.37 6.16 5.50 4.91 4.80 4.33 3.18 2.71 2.30 2.26 2.22 1.62 1.62 1.55 1.40 1.21 1.21 1.16 1.12 1.12 1.11</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:z P:y P:z P:y P:x P:y P:y 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:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">84 43 43 41 39 84 79 27 39 45 27 84 48 31 22 85 43 48 28 52 52 29</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">-8.244</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">295</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.79 3.20 3.02 2.83 2.69 2.45 2.28 2.24 2.10 2.04 2.01 1.73 1.71 1.65 1.63 1.50 1.43 1.43 1.42 1.38 1.36 1.33 1.30 1.27 1.25 1.21 1.14 1.13 1.10 1.09 1.08 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">P:z P:x P:x P:x P:x P:x P:z P:y P:x P:x P:x D:xy P:z P:y P:z P:y P:z P:z P:y P:z P:y P:y P:z P:z P:y P:y P:x D:x2-y2 D:xz D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</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 1.33 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">87 67 88 77 64 99 91 96 97 66 93 10 65 78 78 82 56 92 61 77 87 86 88 74 68 99 54 9 15 8 60 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O W O O O O O O O O O O O O O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.240</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">296</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.54 7.48 6.25 5.95 4.59 4.40 3.76 3.52 3.49 3.16 2.74 2.63 2.54 2.51 2.42 2.36 2.34 2.29 2.27 1.95 1.93 1.77 1.08</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:y P:y D:yz P:z P:y D:yz P:y P:z P:z D:z2 P:y P:y D:yz D:z2 P:z D:z2 P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">87 78 88 86 77 10 65 58 15 65 58 86 9 66 99 14 6 97 11 77 67 65 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W O O W O O O W O O W W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">297</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.35 7.34 6.15 5.51 4.98 4.01 4.00 3.49 2.74 2.39 2.23 1.72 1.63 1.38 1.20 1.16 1.09 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:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">37 84 43 30 53 21 39 47 45 48 46 85 47 94 40 44 34 48</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">-8.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">298</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.62 4.79 3.92 3.78 3.63 3.53 3.35 3.33 3.27 3.02 2.70 2.39 2.32 2.22 2.14 1.86 1.77 1.75 1.60 1.47 1.34 1.26 1.26 1.25 1.19 1.18 1.16 1.13 1.07</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:y P:x P:y P:z P:z P:x P:z P:y P:y P:x P:x P:x P:y P:y P:x P:x P:z P:x P:z P:z P:y P:x P:z P:y P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">21 25 22 47 33 51 31 25 50 32 28 30 52 79 36 53 45 28 46 36 37 27 85 52 29 48 48 39 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">-8.202</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">299</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.36 4.16 3.49 3.40 3.30 3.20 3.04 2.69 2.36 2.31 2.19 2.02 1.98 1.60 1.44 1.37 1.23 1.18 1.18 1.17 1.11 1.09 1.09 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:z P:y P:z P:z P:y P:y P:z P:z P:x P:y P:z P:z P:y P:z P:z P:z P:y D:yz P:y P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">41 47 21 48 45 79 79 85 37 46 87 45 41 37 73 47 83 106 48 86 42 53 53 48</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 P O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">300</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.74 7.66 7.31 6.88 6.47 6.46 4.45 4.26 3.29 3.11 2.38 2.15 2.07 2.07 1.91 1.56 1.51 1.44 1.39 1.30 1.15 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 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:y P:x P:y P:z P:x P:x P:z D:xy P:y P:z D:xy D:yz D:xy D:x2-y2 D:x2-y2 P:y D:xz D:yz D:xz P:z D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</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 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">88 64 77 23 93 54 23 54 13 93 64 7 12 11 12 8 60 6 7 8 60 7 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O W O O W W W W W O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">301</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.53 3.58 3.46 2.01 1.99 1.93 1.87 1.81 1.75 1.68 1.68 1.49 1.47 1.46 1.44 1.42 1.33 1.29 1.22 1.19 1.12 1.12 1.07 1.06 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:z P:x P:z D:z2 P:x P:z P:z P:y P:x P:z D:xz P:x P:y P:x P:x P:z P:z P:z P:z P:z P:z P:z D:z2 P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">87 64 86 103 37 88 78 86 23 82 102 38 58 54 68 49 48 54 41 23 89 71 102 23 56 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O Tc O O O O O O Tc 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">-8.173</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">302</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.22 4.47 3.23 2.74 2.52 2.31 2.22 2.08 2.00 1.94 1.85 1.82 1.78 1.77 1.76 1.68 1.63 1.47 1.47 1.38 1.35 1.27 1.26 1.11 1.10 1.08 1.08 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:y P:z P:y P:y P:x P:x P:y P:y P:y P:z P:y D:xy P:y P:y P:y P:y D:x2-y2 P:y P:y P:x P:y P:z P:z D:x2-y2 P:y P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">78 65 87 65 93 78 74 77 76 86 63 102 93 71 38 54 103 80 57 71 23 87 77 9 81 88 38 58 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O Tc O O O O Tc O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.141</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">303</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.96 7.59 4.88 4.33 4.24 3.54 3.30 3.13 2.46 2.45 2.31 2.28 1.91 1.83 1.75 1.65 1.63 1.37 1.36 1.28 1.21 1.17 1.12 1.06 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:y P:z P:y P:z P:y P:y P:z P:y P:z P:y P:x P:y P:z P:y P:x P:y P:x P:x P:y P:z P:x P:y P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371</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 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">47 21 30 53 37 45 48 46 37 21 22 53 85 29 28 85 45 31 48 29 30 43 41 52 106</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 P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">304</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.38 5.46 5.25 5.24 3.65 3.59 3.47 3.40 3.30 2.93 2.45 2.20 2.14 1.65 1.54 1.46 1.40 1.40 1.08 1.07 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">P:x P:z P:x P:x P:x P:y P:y P:x P:x P:x P:y P:x P:z D:yz P:z P:x P:x P:y P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371</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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">64 73 93 80 76 76 73 65 38 86 88 72 80 102 77 77 73 77 38 88 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O Tc O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">305</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.81 5.10 4.97 4.58 3.85 3.58 3.58 2.97 2.94 2.74 2.41 2.26 1.82 1.75 1.72 1.72 1.70 1.70 1.44 1.35 1.35 1.28 1.27 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:x P:y P:z P:z P:y P:y P:y P:z P:x P:x P:x P:z P:x P:x P:y P:y P:z P:z P:z D:z2 P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">23 54 54 86 65 23 73 73 80 76 54 23 64 65 60 71 76 87 71 103 78 60 80 93</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 Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.089</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">306</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.15 6.73 6.43 4.40 4.01 3.92 3.77 3.22 2.72 2.35 2.17 2.00 1.63 1.51 1.50 1.42 1.30 1.27 1.24 1.09 1.08 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">P:z P:y P:z P:y P:y P:y P:z P:y P:z P:x P:z P:x P:y D:xy P:x P:x P:y P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 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">51 32 33 50 44 25 40 36 25 50 36 22 42 20 31 28 95 33 83 32 52 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O 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">-8.033</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">307</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.53 6.03 5.68 4.27 4.12 3.78 3.30 3.21 2.83 2.81 2.62 2.34 2.09 2.04 1.88 1.64 1.64 1.59 1.53 1.39 1.25 1.21 1.20 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:z P:y P:z P:y P:y P:y P:z P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:x D:xy P:x P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">97 66 67 70 99 86 70 58 82 88 58 74 65 77 92 65 64 99 10 61 61 93 66 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 W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">308</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.69 6.35 4.02 3.54 3.15 2.69 2.48 2.28 2.14 1.81 1.77 1.51 1.47 1.39 1.35 1.32 1.19 1.19 1.18 1.15 1.11 1.05 1.05 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:x P:x D:yz P:x P:x P:x P:x P:y P:x P:x P:x P:x P:y P:x P:x P:x P:z P:z P:z P:z P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">72 78 102 87 54 80 23 38 71 58 73 76 93 93 77 64 74 57 72 54 62 98 89 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O Tc 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">-7.939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.60 3.23 2.74 2.51 2.31 2.26 2.18 2.02 2.01 1.97 1.93 1.83 1.73 1.52 1.46 1.46 1.42 1.35 1.23 1.20 1.19 1.15 1.15 1.13 1.09 1.05 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">P:x P:y P:x P:x P:y P:x P:z P:z P:z P:z P:x P:x P:z P:y P:x P:x P:z P:y P:x P:x P:x P:x P:z P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">98 94 83 42 35 72 75 83 98 34 79 40 26 75 44 45 95 51 48 41 25 36 46 78 44 40 27 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">-7.923</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">310</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.73 6.59 5.23 4.54 4.37 3.99 3.06 2.81 2.70 2.30 1.91 1.89 1.85 1.84 1.37 1.34 1.33 1.28 1.24 1.19 1.10 1.08 1.05 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:x P:x P:x P:x P:y P:y P:z P:y P:y P:y P:z P:x P:z P:z P:z P:y P:x P:x P:z P:x P:z P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">91 92 61 96 60 62 60 61 82 56 62 69 96 69 74 64 76 64 81 87 38 76 97 68 23</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">-7.902</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">311</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.52 3.48 3.09 3.08 3.06 2.70 2.62 2.59 2.55 2.38 2.37 2.37 2.36 2.33 2.24 1.98 1.95 1.85 1.84 1.82 1.82 1.78 1.74 1.68 1.62 1.59 1.56 1.43 1.18 1.17 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">P:z P:y P:y P:y P:z P:x P:x P:x P:y P:x P:y P:x P:x P:z P:z P:x P:z P:z P:x P:x P:x P:z P:z P:y P:y P:z P:y P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">32 33 51 31 50 94 26 75 22 35 40 29 55 44 52 34 25 27 95 28 24 36 95 83 27 42 25 28 36 30 34</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">-7.872</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">312</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.50 3.80 3.77 3.12 3.09 2.85 2.73 2.58 2.40 2.17 2.06 2.00 1.89 1.79 1.76 1.56 1.48 1.46 1.45 1.31 1.29 1.28 1.26 1.09 1.04 1.03 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 D:x2-y2 D:yz D:xy P:z P:x P:x P:y P:y P:z P:y D:z2 P:z P:z P:z P:z P:z P:y P:x P:x P:y P:z P:y P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.00 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 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">58 103 102 102 80 38 70 59 89 90 38 103 38 77 62 57 54 65 57 72 68 86 62 78 74 76 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O Tc Tc Tc 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">-7.855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">313</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.59 4.46 3.98 3.45 3.34 3.10 2.74 2.32 2.29 2.18 2.11 2.07 2.03 1.70 1.52 1.49 1.37 1.30 1.22 1.20 1.19 1.17 1.09 1.06 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:y P:y P:y P:y P:z D:xy P:z P:y P:z D:x2-y2 P:y D:z2 P:y P:y D:xy D:z2 P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.00 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="25">38 54 76 80 72 77 73 88 80 65 103 77 71 88 103 23 103 78 86 102 102 76 64 91 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O Tc O O O Tc O Tc 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">-7.842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">314</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.25 4.53 3.68 2.96 2.82 2.69 2.43 2.43 2.35 2.19 2.10 2.03 1.94 1.81 1.79 1.70 1.68 1.48 1.31 1.28 1.26 1.25 1.13 1.12 1.06 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:x P:z P:z P:z P:z D:z2 P:x P:z P:x P:x P:x P:z P:z P:x D:xy P:z P:z P:x D:yz P:x P:z P:y D:xy P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.00 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">38 44 23 35 98 95 103 72 34 42 55 86 26 55 98 102 73 72 71 100 38 24 44 103 62 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O Tc O O O O O O O O Tc O O O Tc O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">315</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.99 4.75 3.51 3.49 3.34 3.28 2.92 2.65 2.35 2.23 2.10 2.05 1.77 1.46 1.39 1.32 1.25 1.22 1.17 1.16 1.14 1.07 1.06</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:z P:x P:x D:z2 P:x P:z P:z P:z P:x P:x P:x P:z P:z P:y P:z P:z P:x P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">38 44 95 23 34 55 86 103 42 35 26 98 38 40 72 44 72 95 73 40 32 71 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O Tc 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">-7.813</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">316</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.50 3.86 3.84 3.14 2.79 2.78 2.68 2.39 2.35 2.29 2.08 1.89 1.76 1.73 1.67 1.65 1.62 1.53 1.42 1.36 1.30 1.26 1.24 1.08 1.05 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:x P:y P:y D:yz P:x P:y P:x P:y P:x P:z P:z P:x P:y P:z P:y P:x D:yz P:z P:y P:z P:z D:xy D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">95 40 55 26 100 36 42 24 75 83 72 40 27 94 94 34 87 101 64 24 24 38 100 102 29 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O Tc O O O O O O O O O O O O Tc O O O O Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.804</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">317</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.33 5.06 3.26 3.03 2.94 2.81 2.56 2.17 1.85 1.76 1.75 1.73 1.70 1.59 1.52 1.48 1.30 1.28 1.11 1.10 1.08 1.06 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 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:z P:z D:xz P:x D:z2 P:y P:z D:yz P:x P:x P:x P:x P:z P:z P:x P:z P:x P:y P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.00 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 87 64 72 102 72 102 54 71 103 82 65 71 59 69 56 49 80 89 42 68 95 55 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O Tc O Tc 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">-7.749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">318</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">10.77 6.04 3.55 3.02 2.81 2.66 2.27 1.74 1.72 1.58 1.58 1.55 1.48 1.46 1.11 1.00</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:z P:y P:y P:y P:x P:y P:x D:xy P:y P:x P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">98 98 35 34 83 50 44 51 100 52 40 35 84 45 35 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">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">-7.745</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">319</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.52 2.88 2.71 2.43 2.24 2.19 2.13 2.13 2.01 1.95 1.95 1.89 1.87 1.78 1.71 1.68 1.61 1.60 1.52 1.47 1.45 1.44 1.39 1.34 1.29 1.25 1.25 1.21 1.17 1.16 1.11 1.06 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:x P:y P:z P:z P:x P:y P:z P:y P:y P:x P:z P:x P:y P:z P:x P:z P:y P:z P:z P:x P:y P:z P:y P:z P:z P:y P:x P:z P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">62 67 66 99 60 97 89 57 90 98 58 81 91 70 56 69 61 92 82 68 58 59 92 49 96 63 61 98 97 70 74 82 96</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">-7.711</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="31">8.28 6.99 6.46 5.12 4.13 3.71 2.72 2.59 2.24 2.14 1.61 1.57 1.56 1.56 1.56 1.44 1.44 1.42 1.37 1.34 1.25 1.18 1.17 1.16 1.14 1.10 1.09 1.04 1.03 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:y P:y P:x P:x P:x P:y P:x P:z P:y P:y P:z P:x P:x P:x P:z P:x P:y P:z P:z P:x P:y P:y P:y P:z P:x P:z P:x P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">81 69 74 90 57 74 63 68 63 56 90 49 59 60 56 97 92 62 59 72 62 73 54 92 88 63 82 57 77 82 73</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">-7.679</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="22">9.73 8.14 5.34 5.19 4.81 4.71 3.31 3.20 2.96 2.64 1.90 1.88 1.62 1.52 1.51 1.40 1.37 1.35 1.35 1.17 1.07 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:z P:x P:y P:y P:x P:x P:z P:x P:z P:y P:z P:y P:z D:z2 P:y P:x D:xy D:yz P:x D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -9.089</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 0.80 1.33 1.33 0.80 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">98 94 83 34 35 75 33 75 42 31 94 26 42 24 18 83 32 4 3 26 100 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O W O O W W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.673</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="28">4.58 4.27 4.08 3.76 2.95 2.81 2.78 2.71 2.41 2.37 1.99 1.82 1.77 1.72 1.70 1.65 1.44 1.36 1.35 1.31 1.31 1.27 1.16 1.11 1.10 1.09 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:x P:x P:z P:y P:z P:y P:x P:z P:z P:z D:xz P:y P:x D:xy P:z D:z2 P:x P:z D:z2 P:y P:z P:z P:z P:z P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492</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 1.00 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">68 66 82 82 56 69 49 89 56 61 63 102 99 97 14 67 8 69 74 12 58 97 80 91 72 68 102 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O Tc O O W O W O O W O O O O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.631</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="29">7.29 3.92 3.54 3.40 2.78 2.76 2.48 2.48 2.31 2.26 2.16 2.13 2.06 1.67 1.61 1.60 1.58 1.49 1.44 1.36 1.32 1.29 1.26 1.26 1.23 1.16 1.14 1.13 1.11</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:x P:y P:x P:z P:z D:z2 P:y P:y P:x P:z P:z P:x P:z P:y P:x P:z P:x P:x P:x P:x P:x P:z P:x P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">48 98 26 45 95 42 83 100 85 42 45 55 48 35 46 41 34 95 79 84 53 42 94 52 43 44 26 83 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.589</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="39">3.49 3.15 3.02 2.95 2.84 2.82 2.78 2.73 2.46 2.43 2.38 2.25 1.92 1.82 1.79 1.70 1.67 1.66 1.62 1.58 1.53 1.42 1.41 1.39 1.36 1.35 1.35 1.31 1.29 1.26 1.20 1.13 1.10 1.10 1.10 1.09 1.07 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="39">P:x P:y P:z P:x P:x P:x P:y P:y P:z P:z P:x P:z P:x P:z P:y P:z P:y P:x P:z P:z P:y P:z P:y P:y P:x P:y P:z P:z P:z P:x P:y P:x P:y P:x P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="39">32 95 28 50 51 36 44 34 31 24 33 35 25 30 52 22 42 21 27 94 22 75 55 29 47 28 29 52 79 41 53 53 26 43 47 83 84 42 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">O O O O O O O O O O O O O O O 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">-7.544</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="32">5.28 3.95 3.56 3.29 2.90 2.61 2.55 2.51 2.41 2.19 2.07 1.94 1.80 1.72 1.68 1.67 1.65 1.64 1.63 1.57 1.57 1.57 1.50 1.50 1.43 1.42 1.36 1.28 1.26 1.20 1.10 1.08</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 D:xz P:z P:z D:xz P:z P:x P:y P:z P:y D:xy D:xy P:y P:x P:z P:z P:x P:y P:y P:z D:xy P:y P:z D:xy P:y P:y P:x P:z D:z2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 0.80 1.33 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 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">55 26 1 40 24 16 75 48 44 94 34 16 4 42 33 83 42 24 94 95 95 20 83 35 1 35 22 51 31 2 45 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O W O O W O O O O O W W O O O O O O O O W O O W O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.515</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="25">6.63 5.60 5.52 5.22 5.08 5.02 3.40 3.17 2.66 2.55 2.38 2.38 2.36 2.15 2.05 1.84 1.60 1.42 1.34 1.32 1.30 1.07 1.04 1.04 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 P:x P:x P:z P:y P:z P:z P:y P:z P:x P:y P:y P:y P:x P:x P:z P:z P:z P:y P:z D:yz P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</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 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">63 90 49 59 81 68 59 68 81 56 67 49 69 74 99 82 90 91 80 90 82 13 96 89 8</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 W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.439</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="35">3.45 3.44 2.68 2.47 2.44 2.35 2.28 2.24 2.20 2.02 1.97 1.94 1.87 1.76 1.72 1.69 1.68 1.62 1.58 1.51 1.49 1.44 1.42 1.35 1.35 1.24 1.22 1.22 1.18 1.12 1.08 1.08 1.07 1.05 1.02</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:z P:x P:z P:y P:x P:y P:y P:x P:y P:z P:y P:x D:x2-y2 P:y P:x P:y P:x P:z P:y P:z P:y P:y P:y P:y P:y P:z P:y P:z P:z P:z D:xy P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</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 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">72 81 97 64 93 93 49 74 66 82 91 56 67 102 68 99 38 78 61 76 60 96 90 88 81 77 96 89 69 57 78 102 59 74 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">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 O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.394</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="23">6.88 5.22 4.91 3.82 3.50 3.22 2.87 2.74 2.37 2.30 2.19 1.97 1.83 1.81 1.80 1.34 1.32 1.31 1.25 1.12 1.12 1.11 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:y P:y P:z P:z P:y P:z P:y P:z P:z P:y P:x P:y P:z P:z P:x P:x P:y P:x P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">48 45 37 21 37 79 41 47 45 43 84 45 30 53 44 34 47 39 84 83 22 40 48</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">-7.361</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="21">9.48 4.72 3.04 2.83 2.19 2.01 1.83 1.57 1.42 1.41 1.41 1.33 1.31 1.21 1.21 1.19 1.17 1.14 1.12 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">P:x P:x P:z P:y P:x P:x P:y P:z P:x P:x P:x P:z P:y P:x 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">37 98 39 39 85 27 21 25 43 71 46 85 31 48 47 48 46 37 25 33 63</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">-7.356</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="27">4.27 3.77 3.73 3.32 2.89 2.36 2.24 2.23 2.19 2.16 2.08 2.04 1.98 1.87 1.84 1.81 1.73 1.69 1.63 1.59 1.41 1.33 1.27 1.27 1.24 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:y P:z P:y D:xz P:z P:y P:z D:xz P:y P:y P:y P:x P:z P:x D:xy P:z P:z D:xy P:z D:xy P:y D:xy P:y P:z P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">49 63 89 11 57 56 74 6 82 59 68 37 56 69 6 81 90 14 49 10 63 11 69 91 69 99 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O W O O O W O O O O O O W O O W O W O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.336</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="28">4.57 4.21 2.56 2.42 2.22 2.21 2.10 2.01 1.95 1.77 1.74 1.72 1.72 1.56 1.54 1.51 1.37 1.26 1.26 1.25 1.16 1.15 1.14 1.13 1.08 1.05 1.03 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">P:x P:x P:x P:x P:y P:x P:y P:x P:x P:y P:y P:z P:z P:x P:x P:z P:y P:z D:x2-y2 P:z P:z P:z P:x P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="28">71 37 88 58 74 99 76 77 66 61 73 73 90 98 67 71 87 39 102 92 56 76 89 81 78 57 82 68</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 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">-7.317</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="31">8.06 5.03 4.36 3.67 3.62 3.30 3.26 3.02 2.93 2.57 2.48 2.33 2.27 2.21 2.11 2.07 2.06 1.62 1.61 1.52 1.51 1.51 1.26 1.19 1.17 1.16 1.14 1.12 1.04 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:z P:y P:y P:x P:z P:x P:z P:z P:x P:z P:y P:y P:y P:z P:x P:y P:y P:z P:x P:y P:x P:z P:z P:z P:x P:x P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">32 33 51 29 36 27 39 25 95 50 28 25 31 98 35 36 22 84 28 32 47 22 35 43 21 43 52 28 37 98 34</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">-7.254</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="23">5.70 4.11 4.06 2.96 2.80 2.71 2.59 2.59 2.13 2.02 1.75 1.73 1.59 1.44 1.39 1.39 1.32 1.31 1.31 1.10 1.05 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:x P:y P:z P:z P:x P:y P:z P:x P:z D:z2 P:x P:z P:x P:z P:x P:x P:y P:x P:x P:x P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</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">95 40 44 98 35 24 39 45 55 100 39 42 21 22 72 94 98 41 37 47 46 24 100</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">-7.225</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="20">7.17 4.52 3.84 3.38 3.21 2.86 2.30 2.26 2.07 1.99 1.71 1.65 1.64 1.53 1.51 1.43 1.38 1.36 1.16 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:z P:y P:x P:x P:x P:z P:z P:y P:z P:y P:x P:x P:z P:y P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">73 72 80 76 76 72 71 38 88 71 77 23 81 90 64 91 42 71 64 58</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">-7.204</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="32">9.47 8.10 4.30 3.66 2.62 2.23 2.03 1.98 1.90 1.81 1.72 1.64 1.52 1.50 1.50 1.42 1.40 1.34 1.33 1.31 1.31 1.29 1.26 1.16 1.15 1.13 1.11 1.09 1.08 1.07 1.06 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:y P:x P:x P:z P:x P:x P:x P:y P:z P:y P:x P:y P:y P:x P:x P:y P:y P:y P:z P:z P:z P:y P:z P:x P:y P:y P:y P:z P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">73 80 76 73 68 65 74 71 71 23 78 38 93 86 64 54 64 86 93 86 76 97 66 82 65 81 67 59 69 77 91 57</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">-7.186</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="27">4.94 3.10 2.94 2.40 2.13 2.12 1.97 1.92 1.88 1.73 1.71 1.50 1.44 1.42 1.35 1.31 1.28 1.25 1.16 1.14 1.06 1.05 1.04 1.02 1.01 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:y D:yz D:yz P:x P:z P:z P:x P:z P:x P:x P:y P:x P:y D:xy D:x2-y2 P:y P:x P:z P:y P:z D:z2 P:x P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 1.00 1.00 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="27">70 51 102 103 41 44 42 27 61 34 58 56 47 40 103 103 92 99 98 39 50 100 60 67 79 53 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O Tc Tc O O O O O O O O O O Tc Tc 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">-7.178</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="25">4.03 3.61 2.71 2.43 2.00 1.90 1.84 1.82 1.78 1.73 1.61 1.61 1.55 1.49 1.40 1.38 1.19 1.17 1.16 1.16 1.14 1.09 1.07 1.04 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:y P:x D:yz P:x P:y P:z D:yz P:x P:z P:x P:z P:y P:z P:z P:y P:x P:z P:y P:y P:x D:xy P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 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="25">51 94 103 70 37 42 102 47 44 99 53 48 63 79 39 28 96 56 30 67 102 97 60 27 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O Tc O O O Tc 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">-7.172</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="26">9.81 3.96 3.66 3.00 2.66 2.59 2.53 2.36 1.93 1.62 1.53 1.50 1.48 1.45 1.43 1.36 1.28 1.26 1.25 1.18 1.14 1.13 1.08 1.03 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">P:x P:x P:z P:y P:y P:z P:y P:z P:z P:z P:z P:x P:x P:y P:y P:x P:z P:y P:z P:z P:y P:y P:y D:z2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</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 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">34 94 26 30 22 32 75 53 22 45 37 95 28 28 24 21 83 95 73 35 48 37 40 101 41 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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.118</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="23">9.66 3.75 3.55 3.42 3.15 2.99 2.84 2.69 2.62 2.34 2.15 1.94 1.87 1.84 1.55 1.49 1.49 1.47 1.32 1.30 1.13 1.06 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:x P:z P:y P:x P:y P:y P:z P:x P:y P:y P:y P:z P:z P:x P:z P:y P:y P:z P:y P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">35 35 35 94 39 51 43 79 22 75 43 98 28 27 39 94 24 31 52 42 50 28 41</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">-7.110</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="26">3.42 3.27 3.15 2.59 2.58 2.55 2.41 2.21 1.93 1.88 1.77 1.75 1.72 1.55 1.55 1.51 1.48 1.48 1.47 1.42 1.39 1.37 1.19 1.14 1.06 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 P:x P:x P:z P:z D:yz P:x P:y P:x D:yz P:z P:y P:y P:z P:z P:z P:x P:z P:z P:y P:x P:x P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 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="26">33 50 32 35 28 101 51 34 72 100 94 44 71 52 44 31 21 93 40 22 48 31 95 52 22 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O Tc 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">-7.106</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="27">4.09 3.41 2.96 2.16 2.10 2.09 2.01 1.81 1.80 1.76 1.65 1.63 1.61 1.51 1.44 1.43 1.40 1.32 1.29 1.29 1.27 1.10 1.09 1.06 1.04 1.03 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:y P:z P:z P:y P:x P:z P:z P:x P:y P:y P:z P:z P:z P:y P:y D:yz P:x P:z P:y P:y P:y P:x P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="27">72 71 93 96 75 35 94 92 32 58 34 99 58 30 92 74 101 81 29 67 60 94 33 80 73 60 22</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 Tc 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">-7.072</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="30">7.36 3.97 3.87 2.78 2.71 2.71 2.63 2.54 2.35 2.15 2.10 1.95 1.91 1.91 1.90 1.76 1.71 1.70 1.53 1.35 1.34 1.31 1.24 1.19 1.18 1.11 1.09 1.05 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">P:x P:z P:y P:z P:x P:z P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z P:x P:z P:z P:y P:y P:y P:z P:x P:y P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">81 49 90 63 68 66 97 63 74 56 57 74 59 90 59 82 89 61 93 44 86 73 80 69 65 49 64 82 81 65</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">-7.070</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="29">5.97 5.27 4.03 3.82 3.49 3.36 3.29 2.75 2.75 2.44 2.24 2.22 2.10 1.90 1.78 1.62 1.57 1.53 1.41 1.39 1.35 1.34 1.33 1.28 1.28 1.27 1.25 1.16 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:y P:y P:y P:z P:z P:y P:x P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:z P:x P:z P:z D:xy P:y P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">66 97 67 58 58 99 91 60 61 69 61 93 72 62 81 96 92 63 70 56 61 91 102 60 58 65 66 92 74</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">-7.039</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="26">8.21 5.62 5.15 5.06 3.74 2.90 2.73 2.69 2.39 2.25 2.15 2.10 2.02 1.67 1.66 1.55 1.26 1.25 1.15 1.13 1.13 1.12 1.08 1.06 1.06 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:x P:x P:x P:x P:x P:y P:x P:x P:x P:y P:z D:x2-y2 P:x P:y P:x P:z P:y P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 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="26">44 26 42 32 34 35 36 94 55 39 26 95 21 44 25 100 25 83 42 43 43 35 53 22 41 74</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 Tc 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">-7.027</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="22">8.45 4.67 4.05 3.82 3.74 3.46 2.83 2.16 1.87 1.84 1.61 1.58 1.58 1.50 1.41 1.35 1.35 1.34 1.26 1.21 1.15 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:x P:y P:x P:y P:z P:z P:x P:y P:x P:x P:z P:y P:x P:x P:x P:x P:x P:z P:x P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">40 47 83 34 75 30 40 36 74 95 69 32 90 25 24 45 83 81 44 74 37 101</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.003</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="30">4.87 4.31 3.23 3.08 2.91 2.83 2.68 2.65 2.42 2.05 2.04 1.90 1.85 1.83 1.60 1.59 1.53 1.48 1.46 1.41 1.40 1.37 1.27 1.27 1.26 1.25 1.25 1.24 1.19 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:x P:x P:z P:x P:x P:y P:y P:x P:z P:y P:z P:y P:z P:y P:y P:y P:y P:z P:x P:z P:x P:z P:y P:z P:y P:z P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">25 94 29 27 95 53 83 98 53 84 30 29 42 33 34 25 48 48 75 35 26 37 45 83 31 45 27 52 55 34</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">-7.000</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="26">8.92 7.46 6.14 3.52 3.29 3.09 3.04 2.66 2.44 2.36 2.01 1.96 1.87 1.77 1.73 1.62 1.61 1.45 1.30 1.27 1.24 1.18 1.17 1.16 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:x P:y P:x P:z P:x P:z P:x P:z P:y P:y P:x P:x P:x P:y P:z P:y P:z P:x P:x P:z P:z P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">82 68 97 56 59 81 66 61 49 93 74 87 62 59 92 89 91 92 92 89 99 96 80 82 67 70</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">-6.987</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="32">4.93 4.73 4.51 3.99 3.37 3.35 3.10 2.90 2.57 2.24 2.23 2.11 2.08 2.06 1.91 1.90 1.84 1.81 1.71 1.71 1.53 1.52 1.47 1.47 1.46 1.34 1.31 1.13 1.12 1.09 1.08 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:x P:y P:z P:z P:y P:x P:z P:z P:x P:y P:y P:x P:x P:y P:z P:y P:x P:z P:x P:x P:x P:z P:x P:z P:y P:x P:y P:z D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</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 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">83 27 27 43 27 84 29 25 47 48 22 25 79 46 21 32 28 34 22 36 21 28 36 85 44 83 39 42 84 100 75 45</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.914</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="36">6.18 3.35 2.99 2.98 2.96 2.96 2.93 2.78 2.77 2.65 2.54 2.48 2.32 2.26 2.17 1.98 1.71 1.71 1.66 1.55 1.55 1.52 1.50 1.49 1.48 1.48 1.39 1.38 1.33 1.32 1.25 1.24 1.18 1.10 1.06 1.03</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:z P:x P:z P:x P:x P:x P:x P:x P:z P:y P:y P:x P:x P:z P:x P:x P:y P:z P:y P:z P:x P:x P:y P:x P:x P:y P:z P:z P:x P:y P:x P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">56 61 70 63 78 69 80 86 76 49 92 74 65 73 23 58 61 62 62 63 69 99 67 69 54 88 54 60 91 87 49 72 61 82 90 60</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">-6.886</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="27">6.58 5.07 4.79 4.01 3.38 3.16 2.94 2.74 2.40 2.40 2.33 1.97 1.76 1.73 1.62 1.55 1.51 1.49 1.46 1.31 1.21 1.17 1.16 1.15 1.14 1.14 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:y P:z P:z P:y P:z P:y P:x P:y P:x P:z P:x P:y P:x P:z P:x P:y P:z P:z P:y P:z P:y P:x P:x P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">83 48 30 45 94 34 83 51 98 79 34 53 79 85 41 46 22 98 22 42 94 48 94 85 79 28 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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.873</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="29">4.33 4.07 3.70 3.62 2.95 2.90 2.87 2.85 2.77 2.75 2.50 2.09 2.04 1.90 1.88 1.73 1.62 1.55 1.51 1.43 1.33 1.25 1.21 1.20 1.18 1.11 1.08 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:z P:y P:x P:z P:x P:y P:z P:x P:z P:z P:z P:y P:z P:y P:y P:x P:z P:y P:y P:x P:y P:y P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">85 31 52 46 33 43 50 46 52 31 85 85 47 84 46 52 95 21 84 79 43 24 31 51 84 39 66 32 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">-6.861</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="28">4.91 3.65 3.47 3.12 2.81 2.53 2.20 2.02 2.01 1.85 1.63 1.62 1.61 1.58 1.55 1.47 1.46 1.41 1.34 1.16 1.12 1.11 1.10 1.09 1.07 1.05 1.03 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:z P:z P:y P:z P:z P:z P:z P:z P:z P:y P:x P:y P:x P:y P:y P:z P:z P:z P:z 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="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 80 66 58 81 57 76 54 58 78 90 34 63 63 92 61 30 71 64 93 82 91 59 96 66 60 70 62</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">-6.850</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="26">4.97 3.44 3.32 3.24 3.23 3.15 2.87 2.73 2.61 2.43 2.04 1.82 1.70 1.56 1.43 1.39 1.37 1.28 1.27 1.19 1.18 1.16 1.08 1.05 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:y P:y P:x P:y P:y P:y P:y P:z P:z P:y P:y P:z P:y P:x P:x P:x P:x P:x P:z P:x P:x P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">76 97 60 89 68 87 93 92 58 23 80 49 49 99 93 97 72 70 82 74 94 69 80 59 57 81</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">-6.827</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="28">7.71 6.16 4.39 4.07 3.81 3.43 3.40 3.15 3.13 3.06 2.76 2.62 1.93 1.86 1.79 1.54 1.46 1.46 1.46 1.45 1.27 1.19 1.15 1.14 1.11 1.10 1.08 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:x P:y P:x P:y P:y P:x P:x P:y P:y P:z P:x P:y P:x P:z P:z P:z P:z P:x P:y P:y P:x 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">46 51 53 33 53 41 28 28 40 22 40 31 94 47 79 85 28 45 34 41 85 48 50 47 95 29 42 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 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">-6.824</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="30">5.99 5.58 4.00 3.84 3.71 3.52 3.27 3.03 3.03 3.03 2.94 2.51 2.42 2.16 2.05 1.99 1.89 1.85 1.71 1.54 1.51 1.44 1.35 1.30 1.27 1.23 1.19 1.11 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:z P:z P:z P:x P:z P:z P:z P:z P:x P:y P:z P:y P:y P:x P:y P:y P:y P:y P:z P:y P:x P:z P:x P:z P:y P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">85 50 52 79 79 32 83 30 46 36 85 44 33 31 52 29 21 46 22 36 84 34 22 30 29 36 21 94 29 83</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">-6.760</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="20">13.22 9.60 8.78 5.75 5.29 5.18 4.13 3.01 2.47 1.75 1.63 1.53 1.50 1.41 1.26 1.19 1.10 1.07 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:x P:y P:y P:z P:z P:z P:y P:x P:x P:x P:y P:z P:x P:x P:x P:y P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">29 30 41 53 36 79 36 53 46 35 53 32 85 95 37 29 28 30 31 39</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">-6.748</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="31">4.37 4.33 4.15 3.96 3.54 3.48 3.10 3.08 2.91 2.66 2.38 2.36 2.36 2.29 2.09 2.05 2.02 2.00 1.88 1.68 1.67 1.51 1.51 1.46 1.30 1.30 1.29 1.18 1.15 1.08 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:x P:x P:y P:z P:z P:z P:x P:x P:y P:y P:z P:x P:y P:z P:z P:z P:x P:y P:x P:x P:y P:x P:y P:z P:z P:x P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">77 88 67 78 92 99 87 56 97 61 66 69 93 81 65 64 93 87 61 74 68 78 82 82 54 86 49 63 92 69 86</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">-6.740</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="30">5.02 4.45 3.95 3.69 3.41 3.32 3.23 3.15 3.00 3.00 2.89 2.87 2.85 2.76 2.61 2.58 2.48 2.32 2.11 2.02 1.86 1.85 1.82 1.42 1.39 1.24 1.19 1.17 1.05 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:z P:x P:y P:z P:z P:z P:x P:z P:z P:y P:z P:y P:y P:z P:x P:y P:y P:x P:x P:z P:y P:y P:y P:y P:z P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">77 88 54 56 69 77 99 96 23 91 67 65 96 88 66 23 91 97 97 63 49 63 86 54 87 74 81 86 78 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">-6.734</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="24">5.47 5.42 4.45 4.38 4.00 3.84 2.81 2.56 2.51 2.34 2.32 2.04 2.02 1.98 1.81 1.78 1.73 1.72 1.43 1.38 1.20 1.19 1.16 1.00</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:y P:z P:y P:x P:x P:z P:z P:y P:y P:y P:x P:z P:z P:z P:y P:x P:z P:y P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">29 41 53 30 43 25 36 79 24 43 36 79 32 84 27 27 84 55 29 46 51 44 84 33</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">-6.711</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="21">10.34 9.92 6.23 4.71 4.07 3.79 3.74 3.04 2.43 2.27 2.27 2.22 2.00 1.91 1.81 1.79 1.52 1.50 1.43 1.17 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:z P:y P:z P:z P:x P:y P:y P:x P:y P:x P:x P:z P:z P:y P:x P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">21 47 84 43 25 27 25 31 85 33 29 46 50 52 52 25 31 43 52 30 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 O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.698</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="20">13.45 12.57 6.38 6.07 5.80 5.31 5.27 4.47 4.09 2.91 2.90 2.18 1.92 1.71 1.67 1.64 1.27 1.18 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:z P:y P:x P:y P:z P:x P:y P:z P:z P:x P:z P:y P:y P:y P:x P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">50 33 85 21 47 46 31 85 46 52 52 52 85 50 43 31 84 84 46 84</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">-6.691</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="25">4.68 3.83 3.64 3.15 3.13 3.09 2.98 2.45 2.41 2.22 2.03 2.01 1.99 1.88 1.84 1.83 1.50 1.44 1.41 1.39 1.39 1.34 1.27 1.22 1.21</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:y P:z P:x P:z P:y P:x P:x P:z P:y P:x P:y P:y P:z P:z P:z P:z P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">91 67 96 77 88 77 99 86 88 62 70 29 62 88 65 70 30 65 53 70 64 96 92 63 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 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">-6.654</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="31">4.55 3.91 3.38 3.14 3.00 2.78 2.71 2.58 2.41 2.40 2.38 2.18 1.95 1.91 1.90 1.79 1.75 1.66 1.64 1.51 1.44 1.43 1.34 1.27 1.25 1.22 1.17 1.11 1.06 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:x P:y P:y P:z P:z P:y P:x P:x P:z P:z P:z P:z P:x P:y P:y P:y P:z P:y P:z P:z P:x P:z P:y P:z P:y P:y P:z P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">38 86 38 65 64 58 29 62 58 66 49 38 58 30 87 63 53 97 69 70 93 78 90 88 56 93 60 82 21 71 64</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">-6.621</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="33">8.28 4.95 3.60 3.37 3.19 3.03 2.87 2.84 2.83 2.79 2.71 2.66 2.51 2.51 2.51 2.32 2.10 1.91 1.81 1.78 1.66 1.53 1.50 1.49 1.46 1.42 1.42 1.37 1.34 1.32 1.31 1.20 1.14</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:y P:x P:x P:x P:z P:y P:x P:x P:x P:x P:y P:x P:z P:z P:y P:x P:x P:x P:z P:x P:z P:y P:x P:x P:z P:x P:x P:z P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">36 36 25 27 29 50 33 46 37 85 33 39 51 39 25 41 79 45 48 22 28 46 28 32 50 48 52 98 85 45 55 83 36</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">-6.594</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="20">11.54 8.68 8.65 6.69 4.81 2.98 2.79 2.49 2.39 2.01 1.99 1.78 1.59 1.56 1.53 1.52 1.50 1.30 1.29 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:x P:z P:y P:z P:y P:x P:y P:z P:z P:x P:y P:y P:x P:z P:z P:x P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">62 93 64 78 87 88 67 64 60 77 60 62 61 72 99 58 93 57 58 69</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">-6.593</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="33">4.43 4.17 3.97 3.95 3.88 3.80 3.40 3.20 3.08 2.82 2.71 2.53 2.50 2.35 2.08 2.07 2.03 1.94 1.91 1.80 1.70 1.66 1.57 1.50 1.49 1.38 1.30 1.28 1.21 1.11 1.04 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:x P:x P:y P:x P:y P:x P:z P:z P:x P:x P:y P:z P:x P:x P:x P:z P:z P:y P:y P:x P:z P:z P:x P:z P:z P:z P:y P:z P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">48 47 37 45 39 21 39 44 35 95 40 37 94 34 79 35 45 51 33 40 48 53 83 28 50 43 22 94 41 32 83 42 30</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">-6.572</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="33">3.84 3.64 3.14 2.70 2.60 2.51 2.44 2.23 2.08 1.96 1.95 1.88 1.82 1.78 1.77 1.71 1.63 1.61 1.57 1.48 1.41 1.32 1.28 1.28 1.22 1.14 1.09 1.08 1.08 1.07 1.06 1.04 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:x P:y P:y P:y P:z P:y P:z P:x P:y P:z 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:y P:y P:z P:z P:x P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">88 86 67 75 26 91 79 54 41 47 22 21 88 30 70 31 70 52 28 91 66 36 76 53 33 65 78 27 36 42 35 50 54</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">-6.569</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="27">6.69 5.20 4.93 4.56 3.20 2.85 2.85 2.57 2.33 2.31 2.28 2.27 2.12 1.95 1.89 1.57 1.46 1.31 1.31 1.18 1.17 1.16 1.11 1.08 1.07 1.06 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:z P:y P:x P:z P:x P:z P:y P:y P:x P:z P:x P:x P:z P:y P:z P:y P:z P:y P:y P:y P:z P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">77 99 67 88 77 80 78 91 97 96 88 76 65 96 87 49 92 65 75 63 96 76 23 66 23 80 93</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">-6.563</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">6.58 4.05 3.67 3.26 3.12 2.76 2.49 2.42 2.29 2.27 2.21 2.09 1.81 1.63 1.54 1.50 1.49 1.38 1.38 1.35 1.33 1.32 1.28 1.23 1.19 1.19 1.15 1.14 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:x P:x P:z P:x P:x P:z P:z P:x P:y P:z P:x P:z P:z P:x P:x P:x P:z P:z P:y P:y P:x P:z P:y P:y P:y P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">79 32 43 95 51 83 35 36 84 29 83 22 44 41 75 25 27 42 83 24 34 24 28 39 29 39 98 42 33</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">-6.560</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="27">6.08 5.95 5.24 3.40 2.59 2.54 2.46 2.30 2.30 2.13 2.12 2.06 1.85 1.78 1.72 1.62 1.62 1.43 1.42 1.36 1.28 1.24 1.16 1.06 1.05 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:y P:z P:y P:x P:x P:y P:x P:z P:y P:z P:y P:x P:y P:z P:z P:x P:z P:x P:x P:z P:z 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">23 99 87 54 60 96 77 54 75 78 67 79 60 23 77 96 91 62 23 60 96 54 64 53 91 33 31</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">-6.545</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="31">6.07 5.41 5.34 4.73 3.47 3.06 3.05 2.99 2.93 2.57 2.38 2.30 2.26 2.12 2.07 1.84 1.81 1.73 1.48 1.48 1.33 1.32 1.24 1.20 1.17 1.16 1.13 1.08 1.08 1.07 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:x P:z P:y P:y P:y P:x P:x P:y P:z P:z P:z P:z P:y P:x P:z P:x P:y P:y P:x P:z P:y P:z P:z P:x P:x P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">75 79 53 95 44 84 47 75 24 26 94 55 75 26 21 84 41 40 51 48 85 43 28 27 85 55 53 48 31 47 83</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">-6.541</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">7.42 5.48 5.45 4.66 4.57 4.12 3.45 3.33 3.26 2.70 2.19 1.94 1.82 1.76 1.76 1.41 1.39 1.38 1.30 1.26 1.20 1.19 1.19 1.19 1.16 1.14 1.11 1.10 1.09 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:x P:z P:x P:z P:y P:z P:y P:x P:z P:z P:x P:y P:x P:x P:z P:z P:x P:y P:z P:x P:x P:z P:z P:z P:z P:z P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">41 75 26 26 26 40 30 25 35 30 51 34 75 21 27 84 42 41 55 95 35 22 44 94 52 36 27 43 45 40</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">-6.514</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="27">8.93 6.21 4.19 3.94 3.81 3.34 3.10 2.55 2.25 2.14 2.12 1.65 1.63 1.57 1.50 1.39 1.38 1.38 1.37 1.35 1.33 1.27 1.18 1.14 1.14 1.06 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:x P:y P:x P:z P:z P:y P:z P:y P:y P:y P:z P:x P:z P:x P:z P:y P:x P:y P:x P:z P:x P:y P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">38 65 63 86 38 49 91 96 55 44 26 63 63 99 54 40 23 94 95 96 24 88 67 75 71 77 91</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">-6.501</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="26">5.63 5.22 4.94 4.66 3.77 3.71 3.25 3.16 2.97 2.64 2.47 2.19 2.07 2.03 1.89 1.73 1.73 1.62 1.60 1.48 1.38 1.31 1.29 1.18 1.09 1.09</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:x P:y P:z P:z P:z P:x P:y P:z P:x P:z P:x P:y P:x P:x P:y P:y P:z P:x P:x P:z P:y P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">38 60 86 54 70 49 38 70 65 71 73 86 23 76 78 38 60 66 56 34 78 58 91 58 67 69</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">-6.493</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="27">6.48 5.51 5.25 3.95 3.90 2.64 2.45 2.24 2.13 1.94 1.87 1.84 1.56 1.47 1.34 1.33 1.28 1.27 1.27 1.20 1.19 1.17 1.16 1.14 1.13 1.11 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:y P:y P:y P:y P:z P:y P:y P:z P:x P:z P:y P:z P:y P:y P:z P:y P:z P:y P:z P:z P:z P:x P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">55 26 44 24 95 75 34 42 24 65 40 23 35 38 63 96 73 55 71 94 99 70 80 32 75 65 67</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">-6.478</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="32">6.88 5.21 4.85 3.27 3.15 3.08 2.85 2.80 2.80 2.75 2.33 2.06 2.03 1.95 1.91 1.90 1.90 1.71 1.60 1.49 1.36 1.31 1.28 1.27 1.23 1.20 1.16 1.10 1.10 1.08 1.06 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:y P:z P:z P:x P:z P:x P:x P:y P:x P:x P:x P:z P:z P:z P:x P:y P:x P:y P:z P:x P:y P:y P:y P:z P:x P:x P:x P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">70 70 65 72 72 73 71 76 86 69 78 87 49 61 58 81 38 86 90 93 77 92 93 58 82 88 68 60 91 65 70 38</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">-6.468</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="30">6.45 5.56 5.27 4.87 4.06 3.36 3.09 3.04 2.72 2.41 2.36 2.32 2.21 1.97 1.91 1.70 1.54 1.54 1.46 1.43 1.42 1.41 1.40 1.37 1.29 1.26 1.25 1.21 1.20 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:y P:y P:z P:y P:x P:x P:z P:y P:x P:y P:x P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">56 73 38 38 71 80 87 82 86 69 67 65 92 70 54 99 87 97 69 80 71 23 91 54 63 23 91 64 86 70</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">-6.440</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">11.41 9.34 5.69 5.57 2.92 2.70 2.38 2.24 2.19 1.98 1.97 1.89 1.69 1.65 1.63 1.62 1.48 1.39 1.33 1.30 1.22 1.20 1.19 1.07 1.05 1.04 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:x P:y P:x P:y P:x P:y P:x P:x P:z P:z P:x P:x P:x P:y P:x P:y P:x P:x P:z P:x P:y P:y P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">72 68 64 62 93 86 62 66 93 93 62 65 97 59 72 99 67 58 71 74 67 68 23 90 49 73 78 57</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">-6.436</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="21">18.13 7.95 5.42 5.28 4.36 4.29 4.02 4.01 3.55 2.48 2.07 1.95 1.83 1.83 1.73 1.65 1.56 1.52 1.45 1.34 1.16</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:x P:x P:z P:y P:y P:y P:z P:z P:z P:z P:y P:x P:x P:x P:x P:z P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">24 47 24 43 45 37 75 48 55 26 31 43 75 41 55 79 37 26 84 45 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">-6.423</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="22">9.96 6.81 6.43 5.52 3.52 3.14 2.56 2.47 2.45 2.02 1.49 1.37 1.24 1.23 1.20 1.20 1.16 1.13 1.07 1.02 1.01 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:z P:x P:x P:x P:z P:x P:x P:x P:x P:x P:x P:x P:z P:y P:x P:x P:z P:y P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">55 21 55 37 84 58 70 62 97 47 66 60 21 84 26 67 26 40 90 44 66 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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.416</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">6.44 5.50 4.13 3.18 2.94 2.84 2.41 2.33 2.32 2.20 2.13 2.04 1.90 1.76 1.52 1.45 1.41 1.33 1.32 1.30 1.30 1.26 1.24 1.23 1.20 1.19 1.17 1.17 1.10 1.10 1.07 1.06 1.05 1.05 1.02</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:x P:x P:x P:z P:x P:z P:x P:x P:y P:z P:x P:x P:x P:y P:y P:x P:x P:x P:z P:x P:x P:x P:y P:z P:x P:x P:z P:z P:y P:z P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">72 62 97 66 55 58 70 21 37 61 82 87 55 70 56 70 88 68 61 92 60 72 90 57 91 82 80 54 84 96 60 47 96 89 67</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">-6.408</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="32">9.54 5.73 4.66 4.03 3.88 3.47 3.33 3.18 2.77 2.31 2.25 2.16 2.16 2.06 1.98 1.75 1.75 1.71 1.68 1.58 1.50 1.46 1.46 1.34 1.31 1.28 1.14 1.11 1.06 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">P:y P:y P:x P:z P:z P:z P:y P:x P:z P:x P:z P:z P:y P:x P:z P:x P:y P:y P:y P:x P:y P:y P:y P:y P:x 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">90 57 78 59 54 93 56 65 23 87 89 80 54 90 69 59 93 88 67 57 38 82 23 91 89 76 64 66 77 38 97 69</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">-6.402</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="34">5.02 3.24 2.94 2.76 2.76 2.70 2.62 2.52 2.44 2.41 2.33 2.25 2.20 1.96 1.77 1.75 1.62 1.62 1.59 1.51 1.48 1.39 1.37 1.36 1.36 1.29 1.26 1.25 1.25 1.23 1.21 1.19 1.17 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">P:y P:z P:z P:y P:z P:y P:y P:z P:z P:y P:z P:z P:x P:x P:y P:y P:x P:y P:x P:z P:y P:z P:x P:x P:z P:x P:x P:z P:y P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">59 90 72 82 81 49 64 93 60 60 63 74 69 56 56 68 90 87 87 55 61 78 37 68 82 62 21 23 89 58 38 59 72 58</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">-6.383</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="31">7.34 5.54 4.07 3.73 3.71 3.65 3.36 3.24 3.03 2.97 2.90 2.75 2.50 2.38 2.35 2.32 1.80 1.57 1.43 1.39 1.34 1.30 1.25 1.24 1.22 1.19 1.14 1.13 1.09 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:z P:z P:x P:x P:z P:z P:z P:x P:x P:y P:z P:y P:x P:x P:x P:z P:y P:z P:y P:y P:y P:y P:x P:y P:y P:z P:z P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">64 59 86 68 96 72 99 60 78 57 90 23 65 59 89 92 64 54 90 89 77 67 87 91 92 61 89 64 90 77 73</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">-6.330</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="28">8.15 6.78 4.68 4.42 3.84 3.42 3.27 3.03 3.00 2.37 2.33 2.12 1.63 1.58 1.53 1.52 1.33 1.22 1.22 1.20 1.17 1.14 1.14 1.11 1.09 1.09 1.07 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:z P:y P:z P:x P:x P:x P:z P:z P:x P:z P:z P:z P:y P:x P:x P:x P:y P:x P:x P:y P:y P:x P:z P:z P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">89 57 98 87 78 57 54 23 89 90 42 57 90 90 98 67 23 23 50 98 73 56 69 61 54 41 92 54</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">-6.321</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">7.29 6.87 5.39 4.90 4.86 3.94 3.89 3.45 2.77 2.42 1.89 1.83 1.67 1.63 1.61 1.48 1.46 1.37 1.26 1.18 1.16 1.15 1.08 1.07 1.07 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:y P:y P:y P:z P:z P:y P:z P:z P:z P:z P:z P:y P:x P:y P:x P:x P:y P:x P:y P:x P:y P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">59 89 82 98 57 56 90 74 69 42 72 64 69 68 98 57 57 90 98 59 61 92 41 74 76 91</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">-6.315</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="20">14.12 6.79 4.66 4.59 3.68 3.04 2.08 1.88 1.85 1.73 1.58 1.48 1.43 1.20 1.20 1.13 1.12 1.10 1.04 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:z P:z P:x P:y P:y P:x P:y P:x P:x P:x P:y P:x P:z P:z P:x P:z P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">98 42 98 57 98 41 59 50 87 95 89 89 64 89 69 54 86 22 23 78</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">-6.287</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="23">13.80 13.71 6.36 4.88 4.18 4.05 4.05 3.94 3.31 2.25 2.19 2.15 2.07 2.03 1.80 1.60 1.57 1.41 1.34 1.28 1.23 1.14 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:y P:z P:x P:y P:x P:y P:z P:x P:z P:x P:y P:z P:z P:y P:x P:y P:x P:z P:x P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">57 89 89 90 87 76 59 78 80 80 73 73 54 23 59 71 57 71 76 23 99 23 72</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">-6.282</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">7.18 6.22 4.93 4.83 4.51 4.41 4.18 3.82 3.55 3.32 3.22 2.84 2.55 2.37 2.11 1.95 1.90 1.69 1.58 1.43 1.40 1.28 1.06 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:z P:y P:y P:z P:y P:x P:z P:z P:y P:x P:z P:y P:x P:x P:x P:y P:y P:x P:z P:x P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 34 42 83 22 94 40 52 95 35 94 44 33 34 95 31 51 50 35 41 30 33 75 26</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">-6.215</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="24">11.02 7.19 7.01 5.12 4.83 4.50 4.12 3.16 2.83 2.78 2.28 2.17 2.12 2.10 2.00 1.90 1.87 1.68 1.46 1.38 1.26 1.19 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:x P:z P:y P:y P:z P:z P:z P:x P:x P:x P:z P:y P:z P:z P:y P:z P:x P:x P:x P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 51 98 22 31 31 22 40 50 98 95 52 83 42 28 35 83 32 35 31 98 24 51 25</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">-6.196</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="28">9.87 9.17 5.21 4.24 3.49 2.95 2.82 2.80 2.67 2.55 2.53 2.48 2.40 2.35 2.28 2.25 2.09 1.98 1.82 1.82 1.65 1.63 1.34 1.28 1.21 1.14 1.02 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:z P:x P:y P:x P:z P:z P:x P:y P:y P:y P:z P:x P:x P:y P:x P:y P:z P:y P:x P:z P:z P:z P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">49 63 66 68 97 96 74 69 82 97 91 81 81 99 90 56 92 61 59 67 90 59 64 56 77 88 97 68</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">-6.183</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="26">11.10 10.57 7.92 5.36 5.19 4.90 4.32 2.94 2.93 2.80 2.59 2.49 2.28 1.96 1.95 1.83 1.83 1.62 1.55 1.45 1.43 1.37 1.26 1.25 1.18 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:x P:x P:y P:z P:z P:y P:z P:z P:z P:z P:x P:x P:y P:z P:x P:x P:x P:x P:z P:y P:y P:z P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">50 32 42 83 52 44 28 95 40 98 51 33 95 35 22 28 52 55 34 34 35 51 31 28 95 94</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">-6.105</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="26">10.81 10.20 6.23 5.74 5.23 4.96 4.25 4.03 3.94 3.65 3.61 3.07 2.80 2.43 2.03 1.98 1.89 1.64 1.52 1.30 1.27 1.25 1.22 1.19 1.15 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:x P:x P:y P:y P:y P:y P:z P:z P:z P:z P:z P:x P:z P:y P:x P:y 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="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">25 36 42 34 44 95 29 94 40 35 83 83 27 29 40 27 35 95 94 55 75 29 26 42 25 24</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">-6.081</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">9.25 7.36 6.54 5.95 5.60 5.11 4.98 3.83 3.43 3.36 3.28 2.66 2.42 2.27 1.73 1.58 1.53 1.51 1.34 1.09 1.06 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:x P:x P:y P:y P:z P:x P:z P:z P:z P:x P:x P:z P:z P:z P:y P:x P:y P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 97 92 91 74 69 91 63 81 99 66 96 61 92 49 56 97 81 91 69 66 96</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">-6.073</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="21">8.14 8.09 7.40 5.56 5.37 5.03 4.84 4.50 4.04 4.03 3.97 3.90 2.94 2.89 2.82 2.02 2.00 1.92 1.66 1.19 1.08</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:y P:x P:x P:z P:y P:z P:z P:z P:y P:x P:x P:z P:y P:y P:y P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">24 75 27 36 75 55 29 26 27 24 25 29 25 26 29 27 24 55 36 41 34</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">-6.060</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="25">13.84 13.81 6.48 6.17 5.25 4.35 4.31 4.15 3.00 2.27 2.07 2.00 1.85 1.65 1.51 1.48 1.46 1.46 1.44 1.39 1.36 1.35 1.25 1.18 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:x P:x P:z P:y P:z P:x P:z P:y P:y P:x P:x P:z P:z P:y P:z P:z P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 55 75 24 51 32 31 52 52 75 22 28 44 24 33 26 27 31 29 94 35 50 32 25 28</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">-6.050</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="27">9.54 8.52 7.80 7.75 7.17 5.86 3.66 3.32 3.12 2.71 2.34 2.15 2.11 2.03 1.75 1.73 1.68 1.60 1.42 1.41 1.34 1.18 1.15 1.13 1.05 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:y P:x P:z P:y P:y P:y P:z P:z P:x P:y P:x P:z P:y P:z P:x P:x P:x P:x P:y P:x P:z P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 61 82 66 96 68 56 49 68 74 96 96 92 56 81 81 61 67 97 91 74 81 69 56 69 92 61</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">-5.968</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="29">12.43 12.33 5.15 4.96 4.94 3.96 3.75 3.03 3.02 2.82 2.63 2.57 2.49 2.47 2.24 2.17 2.12 2.04 1.66 1.65 1.57 1.29 1.23 1.16 1.13 1.09 1.06 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:x P:x P:z P:y P:z P:y P:z P:y P:y P:x P:x P:z P:y P:y P:x P:z P:x P:x P:x P:x P:z P:x P:z P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 58 62 68 60 82 81 62 56 60 74 69 49 60 59 74 63 90 82 62 63 49 70 81 89 97 57 91 57</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">-5.913</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="23">7.32 6.98 6.30 6.29 6.28 5.75 4.94 4.62 4.47 4.34 4.26 4.11 3.97 2.88 2.79 2.78 2.60 2.28 2.12 1.92 1.61 1.47 1.44</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:x P:z P:x P:z P:x P:y P:x P:y P:z P:x P:y P:z P:z P:x P:y P:y P:z P:z P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">42 50 83 33 28 32 22 35 95 52 51 44 40 22 95 31 34 35 31 94 94 28 51</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">-5.856</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="19">8.96 7.50 7.48 6.81 6.68 6.54 5.29 5.18 4.71 4.17 3.98 3.27 3.13 2.90 2.31 2.11 2.01 1.85 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:y P:z P:x P:z P:y P:z P:y P:x P:x P:z P:y P:z P:z P:z P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">60 90 57 70 90 89 59 59 58 62 62 57 60 58 89 57 62 70 60</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">-5.832</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="27">14.10 12.30 8.26 7.10 3.66 3.56 3.49 3.43 3.18 3.05 2.98 2.79 2.49 2.08 1.71 1.62 1.61 1.45 1.30 1.24 1.22 1.17 1.13 1.12 1.08 1.03 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:z P:z P:x P:x P:x P:x P:z P:z P:y P:y P:x P:x P:z P:y P:y P:z P:y P:y P:y P:z P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 89 90 57 67 99 97 66 92 91 61 96 90 57 61 99 92 59 68 58 66 89 82 81 96 60 62</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">-5.800</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="25">8.34 8.24 7.03 6.73 6.62 6.20 5.50 5.40 4.70 3.53 3.44 3.23 3.23 3.17 2.42 2.28 2.23 2.22 2.09 1.40 1.34 1.22 1.20 1.16 1.16</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:y P:x P:y P:z P:x P:y P:x P:z P:y P:z P:x P:z P:y P:x P:y P:z P:z P:z P:y P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">61 99 92 67 82 74 66 68 97 96 49 81 81 63 56 69 91 92 91 69 96 56 97 68 61</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">-5.795</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="29">9.08 7.48 7.09 5.47 5.02 4.62 4.46 4.40 3.98 3.62 2.86 2.08 2.03 1.82 1.79 1.71 1.69 1.63 1.63 1.60 1.58 1.52 1.48 1.42 1.41 1.34 1.31 1.21 1.12</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:y P:y P:z P:z P:x P:x P:y P:z P:z P:z P:x P:x P:y P:x P:z P:x P:x P:z P:y P:y P:x P:y P:y P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">36 26 55 75 24 27 25 75 27 29 26 29 32 42 33 28 50 51 25 29 24 24 27 95 52 83 22 40 44</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">-5.589</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="26">8.41 7.47 7.01 6.59 6.50 5.97 5.39 4.01 3.75 3.19 2.69 2.48 2.16 2.08 2.07 2.01 1.90 1.68 1.67 1.56 1.54 1.37 1.36 1.24 1.02 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:x P:z P:x P:z P:x P:y P:z P:z P:z P:x P:x P:z P:x P:z P:y P:x P:y P:y P:x P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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">89 59 70 57 58 90 60 90 62 59 60 99 62 58 67 61 62 57 92 57 66 82 89 97 74 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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.669</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="13">33.30 12.89 10.64 9.65 5.73 2.70 2.39 1.84 1.65 1.41 1.15 1.14 1.03</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:x2-y2 P:x D:yz P:y P:x P:y P:x P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 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="13">102 102 81 102 74 74 81 78 93 93 72 81 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc 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">-4.395</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="11">26.51 18.29 11.25 9.18 6.65 5.48 3.93 3.02 1.74 1.57 1.53</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:z2 D:xz P:z P:x P:z D:x2-y2 D:xy P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 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="11">102 102 72 68 82 102 102 72 64 72 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc 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">-4.217</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="15">37.77 7.60 6.28 5.40 5.07 4.39 4.02 2.37 2.27 1.40 1.37 1.33 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:yz D:xy P:y P:z P:y P:z P:x D:yz P:z P:y P:x D:xy D:yz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 3.841 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">102 102 82 74 68 81 58 103 62 62 74 10 102 103 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc O O O O O Tc O O O W Tc Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.835</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="18">30.91 12.85 5.53 3.77 3.30 2.58 2.49 2.43 2.31 2.28 1.86 1.73 1.69 1.57 1.51 1.36 1.25 1.14</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:xy D:x2-y2 P:x P:y D:yz P:y P:z D:xy P:z P:z D:xz D:z2 D:xz D:z2 P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -6.681 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.00 1.00 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">103 103 103 70 56 102 49 69 14 60 63 9 103 103 12 60 69 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc O O Tc O O W O O W Tc Tc W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.692</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="15">19.52 18.83 7.84 7.45 6.27 4.28 3.52 2.77 2.41 2.34 2.06 1.61 1.59 1.51 1.10</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 D:z2 P:y D:xz D:xy P:z D:yz D:z2 P:y D:x2-y2 D:xz P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.33 1.00 1.00 1.33 1.00 1.00 1.33 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">103 103 38 103 101 38 103 101 63 103 101 69 56 49 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc O Tc Tc O Tc Tc O Tc Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.652</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="16">23.81 15.94 11.49 4.79 3.98 3.49 2.71 2.71 2.67 2.18 2.15 1.56 1.30 1.27 1.24 1.06</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:x2-y2 D:z2 D:yz P:x D:xz P:z D:xy P:z P:y D:z2 P:x P:y D:xz P:x D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.33 1.00 1.33 1.00 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">103 103 103 38 101 38 101 49 38 101 56 63 14 86 101 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc O Tc O Tc O O Tc O O W O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.402</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">12.02 10.96 9.02 5.89 4.88 3.17 2.83 2.77 2.76 2.15 1.90 1.78 1.69 1.52 1.39 1.23 1.19 1.14 1.11 1.10 1.05 1.05 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">D:yz D:xy D:x2-y2 D:yz D:xz D:xy D:xz D:xy P:x D:z2 D:xz D:xy P:z P:y P:y D:xy P:z P:y D:xy P:z D:yz D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492</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 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">100 100 100 101 1 4 16 16 36 2 19 1 27 26 55 101 24 95 20 75 17 100 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc Tc Tc W W W W O W W W O O O Tc O O W O W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="12">28.37 27.54 7.17 6.84 3.14 2.88 2.09 1.83 1.58 1.52 1.26 1.15</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:x2-y2 D:yz D:xz D:xy P:y P:x D:xy P:x P:z D:xz D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 1.00 1.00 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="12">100 100 100 100 83 79 19 35 35 19 2 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc Tc Tc 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">-3.137</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="16">40.00 15.60 5.97 2.75 2.60 2.40 2.01 1.97 1.74 1.71 1.49 1.32 1.25 1.20 1.18 1.14</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:z2 D:xy P:z P:z P:x D:xz D:xz D:xy P:x P:x D:yz D:yz P:y D:x2-y2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -6.681 -6.681 -9.089 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 1.00 1.00 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">100 100 98 42 41 4 100 4 98 95 101 100 98 100 95 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc O O O W Tc W O O Tc Tc O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">21.98 5.58 5.53 4.89 4.38 3.92 3.82 3.64 2.67 2.14 1.87 1.80 1.31 1.25 1.22 1.21 1.20 1.20 1.19 1.18 1.17 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">D:yz D:z2 D:yz D:xy D:xy D:x2-y2 D:z2 P:x D:xz P:z P:x D:z2 D:yz P:x D:xz D:xz D:xy P:y D:xz P:x D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.00 0.80 1.00 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.00 0.80 0.80 1.33 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">101 100 100 101 20 100 18 25 5 29 36 3 3 32 100 19 18 29 1 51 101 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc Tc W Tc W O W O O W W O Tc W W O W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.032</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">7.66 5.77 5.18 5.15 5.02 3.94 3.01 2.88 2.65 2.64 2.42 2.30 2.24 1.99 1.97 1.96 1.57 1.54 1.53 1.52 1.42 1.37 1.32 1.29 1.21 1.11 1.10 1.07</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:z2 D:xy D:z2 D:xz D:yz D:z2 D:z2 P:y D:xz D:x2-y2 D:xy P:z D:xy P:y D:yz P:y P:y D:xz P:z D:z2 D:xz P:x D:x2-y2 P:x P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681</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 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">20 2 4 18 5 3 5 3 44 19 17 2 40 18 34 17 42 95 17 94 17 4 51 19 32 83 35 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W O W W W O W O W O O W O W W O W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">11.91 7.80 6.58 4.21 3.64 3.29 3.01 2.66 2.47 2.37 2.07 2.01 1.79 1.67 1.49 1.47 1.36 1.31 1.26 1.22 1.20 1.14 1.13 1.10 1.07 1.06 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">D:xz D:xz D:xy D:xy D:xy P:y P:y D:xy P:z P:z D:x2-y2 D:z2 P:y D:xz D:xz P:z P:x P:y P:x P:z D:z2 D:x2-y2 P:x P:z D:yz P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 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 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 16 16 1 4 55 26 20 24 75 16 2 42 19 5 83 33 44 50 40 5 19 32 31 3 28 51 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W O O W O O W W O W W O O O O O W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">8.12 6.95 5.76 4.92 4.75 3.34 3.14 2.97 2.66 2.48 2.19 2.09 1.95 1.95 1.87 1.85 1.85 1.82 1.79 1.79 1.52 1.42 1.40 1.22 1.21 1.20 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">D:xy D:xy D:xz D:z2 D:z2 D:xz D:yz D:z2 D:z2 D:x2-y2 D:xy P:y D:xz D:yz D:xy P:y D:x2-y2 P:y D:yz P:z P:y P:z P:x P:z P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</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 1.33 0.80 0.80 0.80 1.33 0.80 1.33 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="27">10 14 15 12 8 9 13 13 15 7 12 82 7 7 8 49 9 56 9 74 68 63 67 69 81 99 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W O W W W O W O 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">-2.720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">6.07 6.00 5.66 4.46 4.17 3.42 2.93 2.82 2.69 2.63 2.35 2.17 2.09 1.93 1.88 1.86 1.84 1.79 1.72 1.69 1.47 1.46 1.42 1.33 1.29 1.26 1.22 1.21 1.18 1.16 1.11 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">D:z2 D:xy D:z2 D:xy D:yz D:z2 D:xz D:x2-y2 D:xz P:y D:yz P:z P:y P:y D:z2 D:xy P:x P:x P:x P:x P:z P:y D:x2-y2 P:z D:xz D:z2 P:x D:z2 D:x2-y2 P:z D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</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 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.00 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">2 4 18 20 3 3 5 17 19 34 17 94 95 42 5 2 33 51 50 32 35 44 19 83 17 101 35 17 18 40 18 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W O W O O O W W O O O O O O W O W Tc O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="15">21.24 10.87 7.85 5.97 4.16 2.77 2.34 2.09 2.00 1.24 1.23 1.22 1.16 1.15 1.13</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:x2-y2 D:z2 D:xy D:yz D:yz P:x D:xy D:xz D:xz D:xz P:x D:xz D:xz P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.00 1.33 0.80 1.00 0.80 0.80 1.33 0.80 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">101 101 101 103 101 38 5 103 11 18 47 3 20 38 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc Tc O W Tc W W O W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">10.27 8.11 6.27 4.51 3.44 2.96 2.75 2.65 2.61 2.56 2.28 1.96 1.86 1.85 1.58 1.55 1.45 1.42 1.35 1.34 1.26 1.25 1.19 1.14 1.10 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:xz D:xz D:xy D:xy P:y D:x2-y2 P:y D:xy P:z D:z2 P:z D:xy D:z2 D:yz P:x P:x D:xz D:z2 P:x D:yz P:x D:xz P:y D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 6 6 11 89 6 59 10 57 8 90 14 12 13 97 66 15 13 99 7 67 9 68 15 82 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O W O W O W O W W W O O W W O W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">20.35 14.29 10.45 4.59 3.56 2.58 2.36 2.28 2.17 2.15 2.03 1.40 1.27 1.26 1.25 1.19 1.13 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">D:xy D:z2 D:xz P:y P:z D:xz D:xy D:z2 D:xy D:yz D:xz P:x D:xz P:z D:xy D:x2-y2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -6.681 -6.681 -4.492 -6.681 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 1.33 1.33 0.80 1.00 1.00 0.80 1.00 0.80 1.33 1.00 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 101 101 38 38 3 103 103 5 101 20 21 103 30 4 18 47 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc O O W Tc Tc W Tc W O Tc O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.515</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">8.34 6.27 4.61 3.50 3.49 3.25 3.04 2.72 2.72 2.54 2.40 2.01 1.94 1.46 1.40 1.32 1.19 1.17 1.11 1.10 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">D:xz D:xz D:xy D:x2-y2 D:xy D:yz D:xz D:x2-y2 D:xz D:xy D:x2-y2 D:yz D:z2 P:x P:x D:yz P:z D:yz P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -6.681 -6.681 -6.681 -6.681 -4.492 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 1.00 0.80 1.00 1.00 1.00 1.00 1.00 0.80 1.00 1.00 1.33 1.33 1.00 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">11 6 6 103 11 101 101 102 102 101 6 102 101 66 72 103 38 13 97 38 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W Tc W Tc Tc Tc Tc Tc W Tc Tc O O Tc O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">8.13 5.68 5.66 5.61 3.68 3.58 3.10 2.73 2.69 2.41 2.26 2.19 2.03 1.91 1.83 1.75 1.75 1.74 1.63 1.59 1.57 1.51 1.45 1.33 1.26 1.25 1.23 1.21 1.16 1.16 1.13 1.10 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:xy D:xz D:z2 D:xy D:yz D:z2 D:z2 D:xz D:z2 P:y P:y P:z P:z P:y P:x D:x2-y2 D:xy P:x P:y D:yz D:x2-y2 P:x P:z D:yz D:xy P:z P:x D:x2-y2 D:yz P:z D:x2-y2 P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">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 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">10 15 8 14 13 12 15 9 13 82 68 74 81 49 99 7 8 67 56 9 9 97 91 8 12 63 66 13 7 61 15 69 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W O O O O O O W W O O W W O O W W O O W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">7.30 5.59 4.70 4.52 4.10 4.02 3.98 3.58 3.33 3.29 2.98 2.80 2.69 2.60 2.48 2.45 2.43 1.86 1.75 1.67 1.64 1.49 1.48 1.18 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">D:xy D:xy P:x P:x D:yz D:xz D:yz P:y D:x2-y2 D:xy D:xy P:y D:z2 D:xz D:x2-y2 D:xz P:z P:z P:x D:yz D:x2-y2 D:xy D:yz D:yz D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 3 46 85 2 16 17 84 2 16 17 30 16 1 18 18 43 53 43 20 17 2 5 18 19 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W O O W W W O W W W O W W W W 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">-2.411</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">13.88 10.48 7.92 7.84 5.69 3.92 2.88 2.10 2.03 2.02 1.93 1.78 1.40 1.38 1.30 1.27 1.19 1.16 1.11 1.10 1.09 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:yz D:xz D:xz D:yz D:xy D:xy D:x2-y2 D:x2-y2 P:x P:x D:x2-y2 P:z P:y P:x P:z P:y D:xy P:z P:x P:z P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 0.80 0.80 1.00 0.80 0.80 1.00 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">101 1 16 100 16 1 100 101 33 50 16 28 42 32 83 22 100 22 51 52 44 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc W W Tc W W Tc Tc O O W O O O O O Tc O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.402</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">7.84 6.55 5.69 5.15 5.14 4.39 4.10 3.73 3.42 3.38 2.98 2.93 2.56 2.38 2.20 2.06 2.03 2.00 1.56 1.32 1.13 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">D:yz D:yz D:z2 D:yz D:z2 D:z2 P:y P:y P:z D:x2-y2 P:z P:z P:y D:x2-y2 D:yz D:z2 P:z D:yz P:y D:xy D:xz D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">20 5 16 4 1 19 21 41 47 16 46 79 85 1 1 4 85 19 46 3 16 17 4 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O O W O O O W W W O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="18">5.31 4.72 3.72 3.41 3.35 3.12 2.85 2.60 2.49 2.37 2.33 2.28 1.76 1.72 1.63 1.41 1.29 1.16</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 D:x2-y2 D:xy D:z2 D:xz D:x2-y2 D:xz D:xz D:xy D:xy D:xz D:x2-y2 D:z2 D:xz P:x D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 103 101 4 18 102 3 19 11 20 103 6 102 2 5 72 3 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc W W Tc W W W W Tc W Tc W W O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">8.05 7.83 7.25 4.28 4.26 4.13 4.01 3.86 3.16 3.12 2.63 2.49 2.46 2.26 2.15 1.79 1.73 1.67 1.62 1.61 1.44 1.29 1.21 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">D:yz D:yz D:z2 D:z2 P:y D:yz D:z2 P:z D:xy P:y D:xy P:z P:z D:z2 P:z D:yz D:yz D:xy P:x P:x D:xy D:x2-y2 P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 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="24">15 10 6 11 87 14 9 78 6 86 11 65 88 14 77 11 9 13 77 88 10 11 77 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W O W W O W O W O O W O 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">-2.227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">4.61 4.55 3.94 3.93 3.85 3.08 2.49 2.47 2.42 2.36 1.90 1.80 1.78 1.75 1.62 1.58 1.38 1.35 1.25 1.25 1.15 1.13 1.08 1.07 1.06 1.05 1.04 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">D:xy D:z2 D:xz D:xy D:xz D:xz D:x2-y2 D:z2 D:xz D:xz D:x2-y2 P:x D:xy P:x D:xy D:xz D:xz P:x D:xy D:xz P:x P:x D:xy D:yz P:x D:xy D:xy D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -6.681 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 1.00 0.80 1.00 1.00 1.00 0.80 0.80 0.80 0.80 1.33 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 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">20 18 102 4 101 103 102 2 5 19 3 72 101 25 103 11 6 32 6 16 36 51 1 17 50 11 102 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W Tc W Tc Tc Tc W W W W O Tc O Tc W W O W W O O W W O W Tc W W</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">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.38 5.26 4.66 3.82 3.59 3.48 3.36 3.32 3.32 3.23 3.19 3.04 3.03 2.53 2.45 2.31 2.28 2.05 1.72 1.69 1.59 1.54 1.47 1.44 1.31 1.13 1.07 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:xy D:xy D:xz D:yz D:x2-y2 P:x P:y D:yz P:y D:xy P:x D:xz D:x2-y2 D:x2-y2 P:z D:xz P:z D:yz D:z2 D:yz D:yz P:x P:y D:x2-y2 D:xy D:yz D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 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 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 11 6 12 6 88 64 7 23 7 77 8 8 12 93 11 54 8 11 10 15 54 77 7 12 6 11 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W O O W O W O W W W O W 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">-2.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">4.98 4.35 4.21 3.63 3.36 2.96 2.64 2.47 2.45 2.35 2.30 2.17 2.16 2.10 2.02 1.97 1.70 1.60 1.59 1.56 1.53 1.51 1.50 1.43 1.40 1.39 1.37 1.16 1.12 1.02 1.00 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:xy D:z2 D:xy D:x2-y2 D:z2 D:z2 D:xz D:yz D:xz P:y D:yz D:xy D:x2-y2 P:y D:xz D:z2 P:y P:z P:z D:x2-y2 D:z2 D:xy P:z D:x2-y2 D:x2-y2 P:y D:z2 D:z2 D:xz D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -6.681 -4.492 -6.681 -6.681 -9.089</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 0.80 0.80 1.33 0.80 1.00 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.00 1.33 1.00 0.80 1.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">3 20 2 4 19 18 5 19 17 5 55 18 5 5 26 20 101 44 24 40 17 17 17 75 3 101 34 100 3 101 100 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W O W W W O W Tc O O O W W W O W Tc O Tc W Tc Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="19">6.89 4.94 2.90 2.73 2.45 2.45 2.37 2.30 2.16 1.81 1.81 1.65 1.56 1.24 1.19 1.17 1.11 1.10 1.07</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 D:xz D:x2-y2 D:xz P:x D:yz D:x2-y2 D:x2-y2 D:z2 D:xy D:z2 D:x2-y2 D:z2 D:yz D:xy D:z2 D:x2-y2 P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -6.681 -9.089 -4.492 -6.681 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 0.80 0.80 1.00 1.33 0.80 1.00 1.00 1.00 0.80 0.80 1.00 0.80 1.00 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">102 9 13 101 72 13 103 102 102 16 9 101 16 103 14 1 17 63 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc W W Tc O W Tc Tc Tc W W Tc W Tc W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">6.10 5.31 4.32 3.03 2.54 2.41 2.40 2.24 2.18 2.15 1.91 1.74 1.68 1.57 1.57 1.54 1.50 1.46 1.35 1.30 1.22 1.13 1.10 1.10 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:xy D:z2 D:x2-y2 D:z2 D:z2 D:xy D:x2-y2 D:xz D:yz D:z2 D:yz D:x2-y2 D:x2-y2 D:yz D:xy D:xz D:xy D:z2 P:y P:y P:y D:xy P:y D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 1.00 0.80 1.00 0.80 0.80 1.00 0.80 1.00 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">14 12 102 8 103 7 9 103 7 102 8 103 15 13 10 10 15 7 56 49 59 103 89 12 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W Tc W Tc W W Tc W Tc W Tc W W W W W W O O O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.117</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">8.06 4.34 4.04 3.71 3.61 3.39 3.37 2.81 2.63 1.91 1.74 1.71 1.71 1.59 1.36 1.25 1.18 1.15 1.15 1.13</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 D:xy D:xz P:x P:x D:z2 D:xy D:x2-y2 D:z2 D:x2-y2 D:xz D:yz D:z2 D:z2 D:xz D:xz P:x D:yz D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 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 1.00 0.80 1.33 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">1 14 16 46 85 16 16 17 8 102 9 5 1 2 103 1 27 20 101 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W O O W W W W Tc W W W W Tc W O W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.089</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">7.80 5.07 4.69 4.28 3.76 3.66 3.52 3.48 3.06 2.97 2.71 2.50 2.50 2.42 2.30 2.24 2.07 1.93 1.84 1.69 1.46 1.44 1.39 1.09 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">D:xy D:yz D:yz D:xz D:z2 D:yz D:yz D:yz D:x2-y2 P:y D:x2-y2 D:xy P:y P:y P:z P:y P:z P:z D:z2 P:z D:xy D:yz P:x D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</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 1.33 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">3 20 5 18 19 2 17 4 2 30 18 17 21 41 53 84 47 79 4 43 20 18 43 19 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W O W W O O O O O O W O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">5.39 5.28 4.56 3.71 3.61 2.93 2.64 2.47 2.35 2.29 2.20 1.95 1.79 1.62 1.60 1.56 1.42 1.36 1.33 1.17 1.17 1.14 1.10 1.05 1.05 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">D:x2-y2 D:z2 D:z2 D:xz D:xy D:yz D:yz P:y D:x2-y2 P:z D:yz P:x P:x P:y P:z D:xz D:xy D:yz D:xy D:xz D:z2 P:y D:xy D:yz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 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 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">16 1 16 16 1 20 5 85 1 46 1 46 85 46 85 1 17 4 14 9 19 21 3 16 27 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O W O W O O O O W W W W W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.041</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">4.48 3.88 3.66 3.28 2.92 2.72 2.69 2.39 2.08 2.05 2.04 1.94 1.94 1.69 1.47 1.45 1.44 1.16 1.15 1.09 1.08</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:xz D:x2-y2 D:z2 D:xz D:xy D:xz D:xz D:z2 D:x2-y2 D:z2 P:x D:z2 D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:z2 P:x D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 1.00 0.80 1.33 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">10 15 7 12 101 14 102 9 8 102 16 58 1 101 16 7 15 13 72 13 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W Tc W Tc W W Tc W O W Tc W W W W O 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">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.52 6.39 4.86 4.58 4.42 4.04 3.27 3.22 3.09 2.85 2.79 2.62 2.61 2.50 2.46 2.12 1.96 1.91 1.91 1.82 1.77 1.49 1.31 1.27 1.04 1.04 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:xy D:yz D:xz D:yz D:yz D:z2 D:xy D:yz P:y P:y D:xy P:y D:z2 P:z D:xy P:z P:z D:yz D:yz P:y P:z P:x D:yz P:x D:xz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</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 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">3 20 18 4 5 19 19 2 41 21 5 30 4 53 17 79 47 17 18 84 43 79 19 47 4 2 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W O O W O W O W O O W W O O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">7.29 6.79 4.07 3.71 3.61 3.59 3.35 2.88 2.40 2.26 2.14 2.13 2.03 1.88 1.79 1.68 1.63 1.58 1.41 1.16 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">D:xy D:z2 D:xy P:x D:z2 P:x D:xz D:yz D:x2-y2 D:yz D:x2-y2 D:xz D:xz D:xz D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.00 1.00 1.00 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">11 6 6 88 11 77 6 10 12 15 7 102 11 101 101 102 77 88 14 11 72 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W O W W W W W Tc W Tc Tc Tc O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">7.49 6.55 5.95 4.60 3.65 3.40 3.33 3.18 3.06 3.01 2.74 2.61 2.32 2.11 1.91 1.72 1.67 1.59 1.56 1.55 1.46 1.14 1.08 1.05 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:z2 D:yz D:xy P:y D:z2 P:z P:y P:z D:yz D:yz D:x2-y2 D:yz D:xy D:x2-y2 D:xz P:y P:y D:x2-y2 D:xy D:xy D:z2 D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 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 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="25">15 10 9 14 13 86 14 78 87 65 7 12 8 9 9 12 8 64 23 14 7 12 7 10 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O W O O O 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">-1.884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">7.78 7.03 4.66 4.13 4.09 3.14 3.12 3.11 2.80 2.58 2.43 2.38 2.11 1.99 1.87 1.84 1.73 1.67 1.64 1.31 1.24 1.18 1.13 1.06 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">D:x2-y2 D:z2 D:z2 D:xz D:xy P:y D:yz D:xz D:x2-y2 P:x P:z P:x P:y D:xy D:yz D:yz D:yz D:yz P:z D:x2-y2 D:xy D:z2 D:x2-y2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 11 6 6 11 77 10 11 11 88 88 77 88 13 6 14 11 15 77 12 7 9 7 87 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O W W W O O O O W W W W W O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.848</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">7.57 3.45 3.42 3.29 3.21 2.85 2.71 2.47 2.40 2.32 2.24 2.05 1.99 1.97 1.88 1.75 1.75 1.67 1.55 1.49 1.42 1.41 1.25 1.15 1.06 1.02 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:xy D:xz P:x D:xz D:yz D:xz D:xz D:x2-y2 D:x2-y2 P:x D:xz D:yz D:xy D:xz D:xy P:x P:x D:z2 D:yz P:z P:z P:x P:x D:xy D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">5 19 20 47 18 2 19 4 18 2 79 3 17 3 2 18 94 21 16 100 43 53 41 35 17 4 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W O W W W W W W O W W W W W O O W Tc O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">9.01 6.87 5.67 4.21 3.74 3.55 3.46 3.07 2.84 2.83 2.74 2.72 2.45 2.24 1.90 1.73 1.71 1.66 1.39 1.35 1.31 1.29 1.14 1.03 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:xy D:xz D:yz D:xy P:z P:y D:xy P:z P:y D:yz D:yz D:yz D:yz D:xy D:yz D:xz D:xz P:x D:z2 D:z2 P:y D:xz P:y P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 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 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 8 12 7 93 64 9 54 23 10 7 8 15 15 14 14 12 65 9 14 86 9 87 78 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O O W O O W W W W W W W W O W W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">7.64 4.58 3.83 2.81 2.63 2.55 2.28 1.86 1.70 1.61 1.60 1.40 1.39 1.31 1.29 1.28 1.26 1.16 1.14 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">D:xy D:xz D:xy D:yz P:x D:xz D:z2 D:z2 D:yz D:z2 P:y P:z D:xz D:yz D:x2-y2 D:xz D:z2 D:xz D:yz D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -6.681 -6.681 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.00 0.80 1.33 1.33 1.00 1.00 0.80 1.00 0.80 1.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">10 15 14 7 58 9 12 6 103 8 82 74 101 100 7 102 15 100 13 8 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O W W W Tc W O O Tc Tc W Tc W Tc W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.789</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">6.09 5.96 5.32 4.68 4.05 3.72 3.47 3.04 2.53 2.21 2.17 2.09 1.80 1.67 1.56 1.48 1.47 1.41 1.30 1.29 1.27 1.14 1.10</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:xz D:xz D:x2-y2 D:z2 D:x2-y2 D:xy D:xz P:x P:z D:yz P:z D:x2-y2 P:x D:z2 P:x D:z2 D:xy P:x D:x2-y2 P:x P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">3 20 2 17 18 5 4 21 30 5 84 17 41 20 47 3 4 34 3 43 53 19 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W O O W O W O W O W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.744</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">8.07 7.46 7.30 5.91 2.67 2.16 1.89 1.87 1.86 1.83 1.61 1.53 1.52 1.50 1.47 1.34 1.31 1.27 1.23 1.23 1.20 1.19 1.18 1.08 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">D:yz D:yz D:z2 D:z2 P:y P:z D:xz D:yz D:xy D:x2-y2 D:xy D:z2 D:z2 P:z D:x2-y2 D:xy D:xy D:xz P:y D:xy D:xz D:x2-y2 D:xz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.00 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.00 0.80 1.00 0.80 1.33 0.80 0.80 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">100 101 17 2 95 35 20 17 4 100 20 18 3 27 101 2 101 4 34 5 19 2 100 44 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Tc Tc W W O O W W W Tc W W W O Tc W Tc W O W W W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.669</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">10.56 6.22 6.14 4.82 3.81 2.88 2.79 2.68 2.51 2.43 2.00 1.67 1.65 1.56 1.55 1.53 1.49 1.33 1.33 1.33 1.29 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 D:x2-y2 D:xy D:x2-y2 P:x P:x D:yz D:x2-y2 D:xy D:xz D:xz P:x P:y P:x P:y P:z D:z2 P:z D:xy D:yz D:xz D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 12 9 8 78 65 15 9 13 12 8 74 93 54 54 54 12 69 8 12 9 10 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O O W W W W W O O O O O W O W W W W O</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">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">11.46 8.94 8.87 5.57 4.32 4.04 2.91 2.66 2.26 2.17 1.91 1.54 1.31 1.26 1.26 1.08 1.06 1.05 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:xz D:z2 D:xz D:xz P:x P:x P:z P:z D:z2 D:z2 D:xy D:z2 P:x P:x D:x2-y2 P:x P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">14 7 10 13 87 86 23 64 13 10 7 8 82 23 7 56 49 49 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W O O O O W W W W O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">6.80 5.85 5.37 5.09 3.98 3.95 3.37 2.59 2.22 2.12 1.88 1.83 1.81 1.80 1.64 1.59 1.53 1.51 1.45 1.40 1.37 1.37 1.35 1.28 1.23 1.02 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:xy D:xz D:z2 D:z2 D:xz D:yz D:xy D:z2 P:x P:x P:y D:x2-y2 P:z D:z2 D:x2-y2 D:x2-y2 D:yz P:z P:y D:yz D:xy P:z P:z P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</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 1.33 1.33 1.33 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">20 4 5 18 2 19 17 2 17 25 36 26 3 75 19 5 19 3 27 55 5 18 40 24 44 27 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W O O O W O W W W W O O W W O O O O 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">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.38 5.54 4.04 3.59 3.55 2.92 2.80 2.27 2.21 2.07 2.04 1.94 1.83 1.68 1.47 1.34 1.32 1.22 1.22 1.15 1.11 1.05 1.05 1.05 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:xz D:xz D:xy D:xy D:xy D:xy D:z2 P:x D:z2 P:x P:x D:yz P:x P:z P:y D:xz D:z2 D:x2-y2 P:z P:y D:xy D:xy P:z D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 16 20 16 4 1 18 32 2 50 51 3 33 22 26 5 17 3 28 28 18 19 31 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O W O O W O O O W W W O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.560</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">6.66 6.64 5.28 4.37 2.72 2.55 2.44 2.11 2.00 1.95 1.90 1.85 1.71 1.62 1.51 1.50 1.45 1.42 1.29 1.19 1.10 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">D:xy D:xy D:x2-y2 D:xz P:x P:x D:xz D:xz D:xz P:y D:yz D:xz P:y P:x D:x2-y2 P:x D:x2-y2 P:z D:xy P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">9 15 8 14 65 78 8 13 9 93 12 12 63 86 9 81 12 54 103 64 1 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O O W W W O W W O O W O W O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">6.26 5.92 4.32 3.55 3.52 3.41 3.24 3.00 2.51 2.38 2.27 2.09 1.95 1.86 1.81 1.81 1.65 1.60 1.50 1.27 1.20 1.17 1.14 1.09 1.05 1.03 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:xy D:xy D:xz D:x2-y2 D:xz D:yz D:x2-y2 P:x D:xy P:x P:z D:z2 D:yz P:x D:xz D:xz P:x P:y P:y P:y D:xy D:xz D:xz P:x P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -6.681 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 1.33 1.00 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">101 19 5 2 18 18 2 2 79 100 94 43 101 101 35 19 4 47 83 40 53 1 101 3 34 53 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc W W W W W W W O Tc O O Tc Tc O W W O O O O W Tc W O O W</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">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.82 4.71 3.89 2.97 2.77 2.44 2.40 1.86 1.83 1.73 1.58 1.46 1.41 1.38 1.32 1.21 1.13 1.11 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">D:xz D:xy D:yz D:xz D:z2 P:x D:xy D:yz D:xz D:xz D:xz D:z2 D:z2 D:xy D:x2-y2 D:xy D:xz D:xz P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -14.028</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 1.00 0.80 1.33 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 100 101 103 18 98 20 100 10 17 4 17 7 3 2 101 14 5 44 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc Tc W O W Tc W W W W W W W Tc W W O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.511</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.52 3.26 3.17 3.15 2.89 2.85 2.58 2.52 2.13 2.12 2.06 2.04 1.97 1.83 1.82 1.67 1.51 1.46 1.45 1.39 1.34 1.32 1.29 1.23 1.15 1.10 1.05 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 D:z2 D:z2 D:xz D:xz D:xz D:z2 P:x D:xz P:x D:x2-y2 P:z P:z D:z2 D:xy D:x2-y2 P:x P:z P:x P:z D:x2-y2 D:z2 D:yz D:xz D:xy D:xz D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 1.00 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 1.00 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 101 3 20 14 3 17 34 101 41 100 44 30 7 17 18 21 42 95 84 101 20 101 10 5 13 19 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W Tc W W W W W O Tc O Tc O O W W W O O O O Tc W Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">4.59 3.79 3.46 3.31 2.69 2.48 2.28 1.93 1.85 1.85 1.76 1.62 1.53 1.49 1.47 1.45 1.39 1.36 1.31 1.30 1.28 1.17 1.09 1.08 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">D:xz D:xz D:z2 D:xy D:xy D:xz D:z2 D:xz D:yz P:x D:yz P:x D:x2-y2 D:yz D:x2-y2 D:xz P:x D:xz D:xy D:xy D:x2-y2 P:x P:z D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.00 1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">10 14 13 10 15 100 8 15 15 87 7 58 8 12 103 101 86 9 14 7 7 56 64 100 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W Tc W W W O W O W W Tc Tc O W W W W O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.82 5.08 4.23 3.27 3.12 3.09 2.80 2.61 2.49 2.46 2.17 1.96 1.72 1.61 1.48 1.47 1.46 1.41 1.38 1.26 1.15 1.09 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">D:z2 D:z2 D:xy D:z2 D:xy D:xy D:yz D:xz D:x2-y2 D:xz D:xz D:xz P:y P:y P:z D:x2-y2 D:xy P:z P:z P:x D:yz D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 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="23">7 12 10 8 14 12 7 15 13 14 13 9 56 59 60 9 8 69 90 70 13 15 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W 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">-1.345</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">6.70 6.08 5.24 3.96 3.66 3.19 3.14 2.89 2.59 2.29 2.28 2.18 1.73 1.71 1.64 1.63 1.56 1.49 1.46 1.43 1.40 1.39 1.39 1.26 1.10</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:xy D:xy D:xy D:z2 D:z2 P:x P:x D:z2 D:xy D:xz D:yz P:x D:z2 P:x P:y D:x2-y2 D:z2 P:z D:yz P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">11 6 14 6 11 8 12 97 66 9 10 9 13 99 13 67 59 6 7 61 7 92 91 96 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O O W W W W O W O O W W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.334</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">5.05 4.86 2.69 2.59 2.59 2.40 2.02 1.99 1.95 1.91 1.78 1.76 1.71 1.66 1.65 1.58 1.56 1.47 1.45 1.44 1.38 1.34 1.27 1.24 1.22 1.19 1.17 1.16 1.14 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:xy D:yz D:xz D:xz D:yz D:xy D:x2-y2 P:x D:yz D:yz P:y D:xz D:xz D:xy D:x2-y2 P:y D:z2 D:z2 P:z D:xy D:z2 D:yz P:z D:x2-y2 P:y D:xz D:z2 P:z D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">17 20 2 19 5 4 1 27 101 2 84 18 16 5 2 21 5 3 43 3 16 3 25 18 85 100 18 47 100 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W O Tc W O W W W W O W W O W W W O W O Tc W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">4.37 4.36 4.22 3.94 3.78 3.75 2.71 2.69 2.42 2.40 2.21 2.14 1.93 1.90 1.70 1.69 1.67 1.59 1.51 1.45 1.40 1.36 1.33 1.27 1.24 1.08 1.06 1.05 1.04 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">D:x2-y2 D:xz D:z2 D:xz D:x2-y2 D:xy D:x2-y2 D:xz D:xz P:y D:x2-y2 D:xz D:xy P:z D:xy D:z2 D:xz D:xy D:xy D:z2 D:xy D:z2 P:x D:xz P:x P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -9.089 -6.681 -4.492 -6.681 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.00 0.80 0.80 0.80 1.00 1.00 0.80 1.33 1.00 0.80 1.00 1.33 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 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="30">12 15 102 7 7 10 102 103 10 89 103 12 103 57 14 103 9 8 15 12 12 13 69 102 57 81 68 74 82 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Tc W W W Tc Tc W O Tc W Tc O W Tc W W W W W W 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">-1.294</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.79 5.05 4.91 4.10 3.79 3.56 2.87 2.42 2.18 1.95 1.71 1.70 1.62 1.51 1.50 1.41 1.36 1.34 1.32 1.31 1.29 1.25 1.20 1.19 1.16 1.16 1.15 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:xz D:z2 D:xz D:xz D:xy D:x2-y2 D:xy D:x2-y2 D:xz D:xy D:xz D:x2-y2 D:xy P:x P:y P:x D:xz D:z2 D:xy P:z P:x P:z D:xz P:x D:z2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 1.00 0.80 1.33 1.33 1.33 0.80 1.00 1.00 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">2 20 101 5 17 5 17 20 101 100 18 2 100 4 43 55 47 19 100 100 40 24 24 3 21 17 84 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W Tc W W W W W Tc Tc W W Tc W O O O W Tc Tc O O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">4.96 4.61 4.31 3.56 3.22 2.99 2.37 2.31 2.12 2.12 1.97 1.87 1.74 1.63 1.47 1.44 1.40 1.36 1.16 1.11 1.10 1.06 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:xz D:z2 D:xy D:x2-y2 D:xz D:x2-y2 D:yz D:z2 D:yz D:x2-y2 D:z2 D:xy D:xy D:x2-y2 D:xy P:y P:y D:z2 D:yz P:z D:xz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 8 14 11 9 13 15 13 10 12 7 11 10 9 7 59 77 6 7 88 15 87 78</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 O O W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.203</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">8.93 7.01 4.30 4.20 3.61 3.44 2.70 2.23 1.97 1.92 1.91 1.89 1.85 1.83 1.72 1.65 1.55 1.33 1.15 1.11 1.10 1.06 1.05 1.03 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 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy D:xz D:xz P:x P:x D:z2 D:x2-y2 D:z2 D:z2 D:xy P:y D:xy D:yz P:y P:x D:x2-y2 D:xz D:yz P:y P:x D:xz D:xy P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 4.055 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.00 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 16 16 1 46 85 16 18 101 1 3 31 17 5 22 52 2 20 20 28 28 3 1 22 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O O W W Tc W W O W W O O 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">-1.188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">9.40 9.37 5.69 4.19 3.82 3.51 3.48 2.90 2.82 2.72 2.65 2.24 1.98 1.79 1.71 1.62 1.59 1.38 1.28 1.23 1.22 1.12 1.10 1.08 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 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:z2 D:x2-y2 D:yz P:z P:y D:x2-y2 P:z P:z P:y P:y D:yz D:yz D:yz D:xz D:xy P:z D:xy D:xz D:z2 P:y P:y D:z2 D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 4.055 4.055 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 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 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 16 16 20 50 33 1 46 32 85 51 4 1 5 16 5 85 17 2 19 21 46 16 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O O W O O O O W W W W W 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">-1.177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">7.74 7.11 5.21 4.22 3.52 3.38 2.27 2.25 2.22 2.13 2.09 2.01 1.88 1.80 1.73 1.72 1.66 1.65 1.63 1.59 1.51 1.48 1.44 1.40 1.23 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:yz D:yz D:xy D:z2 D:yz P:z P:y D:yz D:xy P:z D:xy P:y D:x2-y2 D:xy P:y P:z P:x P:z D:z2 P:y D:z2 P:y D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 20 5 19 17 19 2 36 41 17 19 25 5 21 2 3 36 79 27 47 5 84 4 25 2 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O O W W O W O W W O O O O W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.174</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">6.94 5.97 3.94 3.69 3.25 3.23 2.93 2.37 2.36 2.17 2.03 1.92 1.86 1.86 1.73 1.49 1.41 1.38 1.29 1.27 1.15 1.15 1.12 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">D:xy D:xz D:xy D:yz D:z2 D:xy D:yz P:x D:x2-y2 P:y D:xz D:x2-y2 D:z2 P:z D:x2-y2 D:yz P:x D:xz P:x D:yz D:xy D:xz D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 1.00 1.00 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.00 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">3 100 100 4 18 19 18 29 3 30 18 17 2 53 18 101 27 4 98 19 20 5 16 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W Tc Tc W W W W O W O W W W O W Tc O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">4.60 3.57 3.30 2.70 2.66 2.53 2.45 2.30 1.69 1.57 1.54 1.43 1.40 1.33 1.32 1.31 1.29 1.24 1.22 1.16 1.15 1.11 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">D:yz D:xy D:yz D:yz D:z2 D:xy D:xy D:z2 D:yz D:x2-y2 D:xz D:x2-y2 D:xy D:xz D:xz D:xy P:x D:x2-y2 D:yz P:z P:y D:z2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</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 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">14 13 10 9 12 15 7 9 15 2 4 18 9 10 8 19 62 101 8 70 86 8 64 60</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 O Tc W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.073</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">5.37 4.88 4.72 2.54 2.39 2.37 2.37 2.09 1.79 1.62 1.60 1.55 1.35 1.34 1.20 1.19 1.19 1.14 1.06 1.06 1.05 1.05 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:xz D:xy D:x2-y2 D:xz D:yz D:x2-y2 P:y D:xz D:z2 P:x D:xy P:x D:xz D:yz D:z2 P:z D:z2 D:z2 P:x D:x2-y2 D:xz D:xy D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 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="24">4 19 18 3 14 2 75 20 17 79 5 41 18 9 3 26 19 9 94 17 19 9 10 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O W W O W O W W W O 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">-1.058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">7.08 6.99 5.88 5.81 2.90 2.77 2.68 2.59 2.50 2.19 2.17 1.99 1.92 1.75 1.74 1.65 1.50 1.36 1.36 1.33 1.30 1.13 1.10 1.00</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:xz D:xz P:x P:x D:yz P:y P:z D:yz P:z P:y D:yz D:x2-y2 D:z2 P:y D:x2-y2 P:z P:z D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 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 1.33 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 11 6 11 6 11 88 77 10 67 99 15 66 97 14 8 9 91 12 88 77 12 11 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O W O O W O O W W W O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.013</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">5.91 5.51 4.99 4.50 3.97 3.78 3.04 3.02 2.83 2.27 2.24 2.23 2.16 2.08 2.07 1.64 1.55 1.55 1.45 1.35 1.32 1.30 1.21 1.13 1.13 1.09</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:x2-y2 D:z2 D:xy D:z2 D:xy D:xz D:xz D:x2-y2 D:xy P:y D:yz P:y D:z2 D:xy P:y P:y P:x P:z P:x P:z P:x P:y D:yz P:x P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</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 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">6 11 7 6 13 6 11 11 11 77 15 67 9 15 97 23 88 88 96 99 77 64 9 61 96 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W O W O W W O O O O O O O O W O O 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">470</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.72 5.32 3.90 3.56 3.40 2.90 2.49 2.09 2.00 1.90 1.83 1.83 1.81 1.79 1.74 1.72 1.70 1.65 1.65 1.57 1.38 1.32 1.32 1.13 1.10 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:yz D:yz D:x2-y2 D:yz D:yz D:xy D:xz P:x D:yz D:x2-y2 P:x D:yz P:z D:z2 P:y P:z D:xy D:xz D:z2 P:y D:yz P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">14 10 8 8 12 13 8 62 9 12 60 15 54 14 86 93 7 12 12 87 13 66 70 91 92 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O W W O W O W O O W W W O W 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">471</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.95 2.97 2.84 2.76 2.72 2.69 2.66 2.65 2.43 1.93 1.92 1.85 1.78 1.62 1.52 1.32 1.26 1.24 1.12 1.11 1.09 1.07 1.04 1.03 1.01 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:z2 D:xy D:yz D:xy D:yz D:x2-y2 D:yz D:yz D:x2-y2 D:yz D:z2 D:xy D:yz D:xz D:xy D:xz P:y P:z P:y D:xz D:xy P:x D:z2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</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 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">16 1 17 18 3 20 18 4 3 2 19 5 1 5 1 13 2 22 50 30 8 19 27 16 29 16</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 W O O O W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">7.75 6.39 5.38 4.91 3.70 2.68 2.52 1.99 1.90 1.84 1.84 1.69 1.58 1.58 1.53 1.35 1.31 1.24 1.18 1.14 1.14 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 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xy D:xz D:xz P:y D:xz D:z2 P:z P:x P:y P:z D:xy D:xz P:x D:xz D:x2-y2 P:x D:x2-y2 P:x S S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089 -2.078 0.790 -2.078 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.00 1.33 0.80 1.00 1.33 0.80 1.33 1.00 0.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">8 9 14 13 90 8 13 59 65 93 64 8 101 81 9 101 86 9 68 109 102 108 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O W W O O O O W Tc O W Tc O W O Cs Tc Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">12.14 8.06 4.93 4.35 4.02 3.45 3.45 3.39 2.85 2.79 2.66 2.21 1.88 1.84 1.82 1.78 1.53 1.50 1.32 1.28 1.26 1.21 1.18 1.15 1.14 1.08 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 2 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:x2-y2 D:xz D:xz P:x D:z2 P:y P:x D:xz P:z P:x P:z P:x P:x P:z D:xz D:z2 P:x P:x D:xz D:xy D:xy P:y D:xy P:z D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 4.055 -6.681 -9.089 -9.089 -6.681 -4.492 4.055 -9.089 -6.681 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.33 1.33 1.33 0.00 1.00 1.33 1.33 1.00 0.80 0.00 1.33 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 19 18 3 18 41 3 75 79 19 26 94 42 34 26 30 4 101 83 75 100 18 19 53 101 53 3 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W O W O O W O O O O O O W Tc O O Tc W W O Tc O W W</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">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">3.46 3.12 3.11 2.89 2.65 2.37 2.23 2.15 1.82 1.59 1.49 1.45 1.43 1.41 1.35 1.22 1.21 1.19 1.13 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:xz D:x2-y2 D:xy D:xz D:xz D:xy D:x2-y2 D:xy D:xz D:z2 D:z2 D:x2-y2 D:z2 D:yz D:xz D:xy D:xz P:y D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 12 15 10 20 5 101 100 4 7 101 7 17 14 12 4 7 57 103 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc W W W W W Tc Tc W W Tc W W W W W W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.866</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">3.30 3.24 3.21 2.86 2.82 2.56 2.52 2.23 1.92 1.85 1.46 1.41 1.35 1.34 1.32 1.32 1.31 1.23 1.20 1.16 1.05 1.03 1.03 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xz D:x2-y2 D:xz D:xy D:xz D:xz D:xz D:z2 D:z2 D:yz S D:xy P:y D:x2-y2 P:y D:xz P:x S D:xz D:yz P:z P:z P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -2.078 -6.681 -9.089 -4.492 -9.089 -6.681 -9.089 -2.078 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 1.00 1.33 0.80 1.33 1.00 1.33 1.00 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">15 4 12 10 5 20 101 3 7 17 14 108 101 57 2 24 100 34 109 12 9 89 55 41 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W Tc W W W W Cs Tc O W O Tc O Cs W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">9.72 6.61 5.70 4.40 4.32 3.80 3.68 3.15 2.87 2.40 2.38 2.12 2.10 1.97 1.71 1.71 1.62 1.59 1.55 1.50 1.46 1.44 1.17 1.15 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">D:xz D:xz D:xy D:x2-y2 D:xz D:z2 P:y P:z P:z D:xy P:x D:xz P:x P:x P:x P:z D:x2-y2 P:z D:x2-y2 D:yz P:x D:xy P:y D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">14 13 9 8 8 13 90 59 64 8 86 9 81 68 65 93 9 49 13 8 59 14 93 9 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O O O W O W O O O O W O W W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.831</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">4.18 4.06 3.94 3.39 3.23 3.18 3.14 2.70 2.43 2.35 2.26 2.11 1.95 1.67 1.60 1.46 1.43 1.40 1.37 1.34 1.25 1.24 1.20 1.15 1.15 1.10 1.09 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:yz D:xy D:xy D:yz D:xy D:xz D:z2 D:z2 D:yz D:yz D:xz D:xz D:x2-y2 D:xy D:yz D:yz P:y P:x P:z P:z P:x D:xz D:xz D:z2 P:y D:xz P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</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 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">10 7 13 15 6 14 11 15 14 13 12 13 8 11 9 8 64 60 78 99 68 11 6 6 87 10 67 10</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 O O O O O W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">3.58 3.21 3.09 2.88 2.65 2.42 2.35 2.16 2.04 1.99 1.98 1.95 1.94 1.83 1.78 1.75 1.73 1.57 1.51 1.50 1.38 1.29 1.22 1.16 1.14 1.11 1.07</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:x2-y2 D:yz D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:z2 D:xy D:yz D:xz D:z2 D:yz D:z2 D:yz D:xy D:z2 D:z2 D:x2-y2 D:yz D:xz D:xz P:y P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">1 2 20 17 101 18 16 5 20 4 5 3 19 1 5 16 16 2 19 3 4 17 51 27 33 22 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W Tc W W W W W W W W W W 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">-0.716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="19">11.12 8.06 7.43 6.95 6.05 4.12 4.02 3.80 2.95 2.37 2.02 2.00 1.54 1.42 1.20 1.17 1.14 1.03 1.02</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:x2-y2 D:xz D:xz P:y P:z D:xy P:y P:y P:z D:xy P:z D:xy P:y D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">102 102 103 103 103 102 74 82 103 81 69 68 102 56 15 63 10 7 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc Tc Tc Tc Tc O O Tc O O O Tc O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">5.06 4.00 3.24 2.74 2.59 2.48 2.06 2.04 2.04 1.84 1.76 1.73 1.67 1.48 1.44 1.37 1.37 1.30 1.28 1.24 1.24 1.18 1.15 1.11 1.09 1.08 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">D:x2-y2 D:xz D:x2-y2 D:x2-y2 D:xz D:xy D:xz D:z2 D:xz P:x D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz P:z D:x2-y2 P:y P:z D:yz D:z2 D:xz D:xz D:yz P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -9.089 -6.681 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 1.33 1.00 0.80 1.00 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">12 11 8 7 103 6 101 13 14 38 101 6 103 13 8 91 9 92 38 10 12 13 10 15 61 60 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W Tc W Tc W W O Tc W Tc W W O W O O W W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.587</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="10">30.06 30.00 5.31 5.28 2.62 2.28 1.51 -1.46 1.21 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">2 2 3 3 1 1 1 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S D:xz D:x2-y2 D:xz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-2.078 -2.078 0.215 0.215 0.031 0.031 -6.681 0.790 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.00 1.00 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="10">109 108 108 109 109 108 101 103 18 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs Cs Cs Tc Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">8.64 4.90 4.90 4.89 4.33 3.14 2.00 1.90 1.72 1.58 1.42 1.31 1.29 1.27 1.23 1.23 1.21 1.18 1.15 1.09 1.08 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:xy P:x D:xz D:x2-y2 P:z D:xz D:xy D:z2 D:xz D:x2-y2 D:yz D:z2 P:x D:xy D:yz D:z2 D:xy P:z D:xy D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.33 1.00 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">103 103 38 101 101 38 9 14 12 11 6 9 11 60 7 10 6 15 63 101 103 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc O Tc Tc O W W W W W W W O W W W W O Tc Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.10 4.06 3.82 3.70 3.63 3.40 3.33 2.90 2.66 2.18 2.02 1.81 1.74 1.74 1.70 1.62 1.61 1.55 1.52 1.46 1.44 1.22 1.18 1.12 1.09 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 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:x2-y2 D:xz D:z2 D:xy D:z2 D:z2 D:xz D:x2-y2 D:xy D:x2-y2 P:z P:y P:y P:x P:y D:z2 D:xz D:x2-y2 P:z P:z S P:x P:y D:x2-y2 D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -6.681 -4.492 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -9.089 -2.078 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 0.80 1.00 0.80 0.80 1.00 1.00 0.80 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">101 10 101 15 7 103 101 12 101 103 82 74 40 56 57 102 103 102 89 44 109 87 69 7 10 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc W Tc W W Tc Tc W Tc Tc O O O O O Tc Tc Tc O O Cs O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">8.45 6.87 6.34 3.84 3.37 3.29 2.56 2.20 1.99 1.80 1.76 1.75 1.68 1.50 1.46 1.29 1.27 1.21 1.11 1.10 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">D:z2 D:x2-y2 D:xz D:xy P:y P:z D:xy D:z2 D:xz D:z2 D:z2 D:xy D:x2-y2 D:xy D:xz D:x2-y2 D:z2 D:xz P:z P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 0.80 1.00 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">101 101 101 101 40 44 5 7 10 20 103 15 12 18 20 103 3 103 55 56 3 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc Tc O O W W W W Tc W W W W Tc W Tc O O W 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">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">12.35 11.07 8.82 6.64 3.66 3.57 3.09 2.27 1.94 1.86 1.62 1.50 1.43 1.33 1.31 1.24 1.21 1.17 1.10 1.05 1.02 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:x2-y2 D:xz D:xy P:y D:z2 P:x D:z2 D:x2-y2 P:z D:yz P:x P:y D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xz P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.00 1.33 0.80 1.33 1.00 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.00 0.80 0.80 0.80 1.33 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">100 100 100 100 35 17 95 101 2 95 2 35 83 4 4 101 19 2 20 55 42 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc Tc O W O Tc W O W O O W W Tc W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.165</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="8">35.98 35.37 2.52 1.89 1.26 1.22 1.22 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">2 2 2 2 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S P:y P:z S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-2.078 -2.078 -0.436 -0.436 1.232 1.232 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">108 109 109 108 16 11 1 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Cs Cs Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.094</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">7.64 3.14 3.05 2.92 2.90 2.64 2.59 2.13 2.05 2.04 1.76 1.73 1.69 1.66 1.55 1.52 1.36 1.36 1.35 1.33 -1.32 1.32 1.30 1.30 1.22 1.19 1.18 1.15 1.12 1.11 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 1 3 1 1 3 1 2 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 3 1 2 1 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S D:yz S S D:yz S D:xy S D:xy D:xz D:z2 D:xy D:x2-y2 P:x S D:x2-y2 S D:yz D:xy S S P:y P:y D:yz D:x2-y2 S D:xz S D:x2-y2 P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">0.790 -4.492 1.232 -5.054 -4.492 1.232 -4.492 0.790 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -14.028 -4.492 -5.688 -4.492 -4.492 2.471 0.790 -9.089 -9.089 -4.492 -4.492 1.232 -4.492 -5.688 -4.492 -9.089 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.80 0.00 2.00 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 1.33 2.00 0.80 2.00 0.80 0.80 0.00 0.00 1.33 1.33 0.80 0.80 0.00 0.80 2.00 0.80 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">100 16 19 100 1 4 18 102 2 18 4 3 16 29 106 17 19 17 1 105 103 46 31 19 3 16 3 4 1 52 1 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc W W Tc W W W Tc W W W W W O P W W W W H Tc O O 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">-0.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">25.62 12.04 4.72 4.37 3.85 3.38 3.13 2.95 2.10 2.07 -1.63 1.58 1.57 -1.37 1.17 -1.03 -1.01 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">2 1 2 1 3 3 3 3 3 3 2 3 3 1 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">0.790 -5.054 2.471 -6.493 1.232 1.232 1.232 1.232 1.232 1.232 3.429 1.232 1.232 -5.054 -2.078 2.224 0.790 0.790</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">102 102 104 104 15 13 10 8 11 6 107 7 12 103 108 107 101 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc H H W W W W W W P W W Tc Cs P Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">21.96 9.60 5.04 4.68 3.85 3.43 2.49 2.41 -2.22 2.10 1.97 1.61 1.57 1.46 1.45 1.34 1.26 1.19 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">2 1 2 1 2 3 3 3 2 1 3 1 3 3 3 3 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S P:x S S D:xy S S S S D:xz S D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.790 -5.054 2.471 -6.493 0.790 1.232 1.232 1.232 2.224 -5.054 1.232 -4.492 1.232 1.232 1.232 1.232 -4.492 -2.078 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 100 105 105 102 19 4 17 106 102 2 18 16 5 1 20 18 109 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc H H Tc W W W P Tc W W W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.56 5.37 5.23 4.16 3.03 2.91 2.69 2.66 2.65 2.51 1.97 1.77 1.50 1.34 1.33 1.19 1.07 1.04 1.04 1.04 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 2 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="23">D:yz D:z2 D:z2 D:yz D:z2 S D:x2-y2 D:x2-y2 D:z2 D:yz D:yz D:z2 D:xy P:z D:x2-y2 P:z S P:y P:z D:x2-y2 D:yz P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 0.790 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -0.504 -5.054 -0.504 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.00 2.00 0.00 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 19 4 16 5 100 4 20 16 5 19 20 2 36 1 4 100 19 41 16 20 47 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W Tc W W W W W W W O W W Tc W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">6.32 6.02 5.63 4.18 3.25 3.22 2.87 2.06 1.98 1.94 1.91 1.80 1.77 1.69 1.49 1.39 1.34 1.25 1.19 1.16 1.08 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz S D:z2 D:z2 S S D:xy S S D:yz P:y D:yz S P:z P:y D:yz D:z2 D:x2-y2 D:xz D:x2-y2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 0.790 -4.492 -4.492 -14.028 -5.054 -4.492 2.471 -6.493 -4.492 -9.089 -4.492 3.429 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.00 0.80 0.80 2.00 2.00 0.80 0.00 1.00 0.80 1.33 0.80 0.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">11 6 102 14 9 107 102 8 104 104 15 88 9 107 77 67 10 15 13 8 14 10 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W Tc W W P Tc W H H W O W P O 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">0.222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">8.84 8.38 7.60 7.04 4.94 4.73 4.52 -4.19 4.07 3.76 3.70 3.49 3.12 -2.87 2.77 2.47 2.43 2.40 -2.31 2.26 2.06 1.89 1.75 1.69 1.48 1.42 1.24 -1.19 1.17 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 1 1 2 3 1 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S P:x S S S S P:y P:z P:z S S S P:y S S S S S S S D:xy P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 0.790 2.224 -5.688 -5.688 0.790 0.790 -0.436 2.224 -0.436 0.790 -5.054 2.471 2.224 -6.493 -5.054 -5.054 -6.493 2.471 1.232 -5.054 -4.492 -5.485 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 2.00 2.00 1.00 0.00 0.00 2.00 0.80 1.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">5 20 7 12 5 20 101 107 7 12 102 103 108 106 109 100 101 105 106 105 102 103 104 104 19 100 12 107 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W Tc P W W Tc Tc Cs P Cs Tc Tc H P H Tc Tc H H W Tc W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">3.48 3.46 3.24 3.01 2.95 2.56 2.41 2.22 2.21 2.16 2.15 1.93 1.81 1.67 1.62 1.61 1.60 1.52 1.43 1.43 1.39 1.38 1.32 1.22 1.19 1.09 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 2 1 2 1 1 1 1 1 3 3 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:x2-y2 D:x2-y2 D:xz D:z2 D:xy D:xy D:yz D:z2 D:z2 D:xy D:xy D:x2-y2 S P:x S D:x2-y2 D:z2 D:xz D:yz D:xz S S D:yz D:x2-y2 D:yz D:x2-y2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -9.089 -5.688 -4.492 -4.492 -4.492 -4.492 -4.492 1.232 1.232 -4.492 -4.492 -4.492 -4.492 1.232 -9.089</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 0.80 2.00 1.33 2.00 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">6 11 6 8 15 11 8 7 10 9 12 13 10 7 62 12 13 14 7 12 13 7 12 15 7 11 14 5 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W O 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">0.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="38">5.85 5.00 4.63 4.57 4.09 3.92 3.60 3.53 3.52 3.48 -3.46 3.41 3.07 3.07 2.97 -2.92 2.91 2.73 2.73 2.67 2.57 2.48 2.39 2.38 -2.02 2.02 2.01 1.98 1.84 1.57 1.39 -1.33 1.32 -1.26 1.26 1.23 1.22 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 2 1 3 3 3 1 2 3 1 2 3 3 2 2 2 2 3 2 2 3 2 2 2 1 3 2 3 2 2 2 1 2 1 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">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 P:x P:z P:z P:x S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-6.493 2.471 -5.054 1.232 1.232 1.232 -6.493 -5.688 1.232 -5.054 0.790 1.232 1.232 -5.688 2.471 0.790 -5.688 1.232 0.790 0.790 1.232 -5.688 -5.688 -5.688 -5.054 1.232 -5.688 1.232 -5.688 -0.436 -0.436 -0.773 -0.436 -0.773 -5.688 -0.436 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.00 0.00 2.00 0.00 0.00 0.00 1.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">105 105 100 1 7 12 104 1 16 102 103 2 6 2 104 101 16 11 102 100 17 7 17 12 103 5 6 20 11 108 109 100 109 102 20 108 5 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">H H Tc W W W H W W Tc Tc W W W H Tc W W Tc Tc W W W W Tc W W W W Cs Cs Tc Cs Tc W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.57 6.36 6.18 6.14 5.29 4.21 4.18 4.06 4.02 3.97 3.79 3.12 3.00 2.80 1.91 1.86 1.77 -1.69 1.67 1.52 -1.44 1.40 1.37 -1.33 1.21 -1.16 1.15 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 1 3 1 2 3 2 2 3 1 2 2 2 1 1 3 2 3 2 2 1 2 2 2 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S S S S S S S D:xz S S P:y S S S D:x2-y2 S S S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">0.215 0.215 -5.054 1.232 -5.054 -5.688 1.232 0.790 0.790 1.232 -6.493 -5.688 2.471 -5.688 0.031 -5.054 1.232 -0.436 1.232 -5.688 -2.078 0.031 -5.688 -2.078 -5.688 -0.436 1.232 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 1.00 0.00 2.00 1.00 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">109 108 101 8 103 8 13 103 101 6 104 6 104 13 109 102 4 109 11 11 109 108 4 108 1 108 1 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs Cs Tc W Tc W W Tc Tc W H W H W Cs Tc W Cs W W Cs Cs W Cs W Cs W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.486</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">10.21 9.49 8.24 7.92 6.63 6.05 5.00 4.53 3.25 -2.94 -2.92 2.87 2.85 2.65 2.40 2.28 2.26 2.25 -2.23 -2.17 2.11 2.11 1.97 1.91 1.70 1.65 1.34 1.32 1.31 1.23 1.14 1.13 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 2 2 2 2 3 2 2 3 3 2 3 3 3 3 2 2 3 2 3 2 3 2 2 2 2 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S S P:y P:y S S S S S S S P:z P:z S S S S S S S S S S S D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 1.232 2.224 2.224 1.232 1.232 -5.688 1.232 1.232 1.232 1.232 2.224 2.224 1.232 -5.688 1.232 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 -4.492 -5.485</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 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">11 16 6 1 11 16 6 1 19 107 106 15 4 19 13 2 10 17 107 106 12 4 8 15 7 13 10 17 12 8 2 18 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W P P W W W W W W W P P W W W W W W W W W W W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="35">8.70 7.50 6.42 6.28 5.70 5.69 5.65 5.63 5.13 4.74 4.45 4.15 3.62 3.29 3.27 3.17 -3.15 2.94 2.54 2.28 2.22 2.14 2.10 1.75 1.66 -1.56 1.55 -1.55 1.52 1.38 -1.31 1.26 -1.15 -1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 3 3 3 2 3 2 2 3 3 2 2 2 2 3 2 2 3 3 3 3 2 3 2 2 1 2 3 2 2 2 2 1 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 P:x S S S S S S S S P:y S P:x S S P:z S P:z P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 1.232 -5.688 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -5.688 -5.688 1.232 2.224 -5.688 1.232 1.232 1.232 1.232 0.790 1.232 -5.688 2.224 -5.054 2.224 1.232 -5.688 2.224 -5.688 2.224 -5.485 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">17 4 13 19 2 4 8 17 19 15 10 13 8 15 2 14 106 10 18 12 9 3 100 20 14 107 100 107 7 18 107 12 106 106 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 Tc W W P Tc P W W P W P P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.84 4.61 4.38 4.15 4.07 3.98 3.80 3.74 3.54 3.50 3.34 3.25 2.76 2.73 2.38 2.13 1.91 -1.72 1.71 1.70 1.70 1.60 1.40 1.20 1.15 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 3 1 2 3 3 2 2 2 2 2 2 2 2 3 2 2 1 3 2 1 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S D:x2-y2 S S S S S S S P:x P:x P:y P:z S S P:y D:xy S S D:z2 P:y S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">1.232 1.232 1.232 -4.492 -5.688 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -0.436 -0.436 -0.436 -0.436 1.232 -5.688 2.224 -4.492 1.232 -5.688 -4.492 -5.485 1.232 -5.688 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 0.00 0.80 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 2.00 0.80 1.00 0.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">16 1 5 3 16 20 2 1 5 2 20 109 108 109 108 7 17 106 18 17 7 18 106 12 12 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W Cs Cs Cs Cs W W P W W W W P W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="35">9.63 8.27 8.25 7.09 5.36 5.08 4.79 4.74 4.50 4.49 3.20 3.15 3.00 2.94 2.17 1.96 -1.93 1.89 1.64 1.63 1.51 1.50 1.49 1.46 1.43 -1.39 -1.34 1.33 1.30 1.24 1.17 1.13 -1.12 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 2 2 3 3 3 2 2 3 2 3 2 3 2 3 2 3 1 2 2 2 1 2 2 2 1 1 1 1 2 2 2 1 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 P:y S P:x S S S P:z S D:xz S S P:z P:x D:xy D:x2-y2 D:z2 P:x S P:y D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 -5.688 -5.688 1.232 -5.688 0.215 -5.688 0.215 -0.436 1.232 2.224 1.232 -5.054 0.790 -0.436 -5.688 -4.492 -5.688 0.790 2.224 -0.773 -4.492 -4.492 -4.492 -0.436 0.790 2.224 0.031 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 2.00 0.00 0.00 0.00 0.80 0.80 0.80 0.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">10 15 10 15 17 2 13 17 2 8 13 108 8 109 108 19 106 4 101 100 109 19 17 4 101 107 102 2 15 10 109 103 107 108 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W W W W Cs W Cs Cs W P W Tc Tc Cs W W W Tc P Tc W W W Cs Tc P Cs Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.624</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="35">6.56 5.54 5.10 4.60 4.05 3.84 3.78 3.77 2.97 2.69 2.59 2.18 2.11 -2.08 1.93 1.91 1.85 1.71 -1.62 1.59 1.49 1.46 1.43 1.33 1.31 1.27 1.25 1.24 1.22 1.14 1.11 1.06 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 3 2 2 3 2 1 2 1 1 2 1 2 3 2 3 2 2 3 2 3 2 2 1 3 2 3 1 2 2 1 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S D:x2-y2 S D:yz D:yz S D:x2-y2 P:y S S S P:y P:z S S S P:z S D:x2-y2 S S S D:xy S S P:y S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 1.232 1.232 -5.688 -5.688 1.232 -5.688 -4.492 -5.688 -4.492 -4.492 -2.078 -4.492 2.224 1.232 -2.078 1.232 -0.436 2.224 1.232 -5.688 1.232 -0.436 -5.688 -4.492 1.232 -5.688 1.232 -4.492 -5.688 -5.688 -9.089 1.232 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.80 2.00 0.80 0.80 1.00 0.80 0.00 0.00 1.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 0.00 2.00 0.00 0.80 2.00 2.00 1.33 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">11 6 15 11 15 10 6 1 10 1 16 109 3 107 12 108 8 109 107 7 19 2 108 12 16 16 8 13 16 7 4 46 19 19 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W W W W Cs W P W Cs W Cs P W W W Cs W W W W W W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.666</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">5.61 5.51 4.78 3.72 3.31 3.27 3.23 2.45 1.76 1.63 1.60 1.51 1.49 1.47 1.47 1.43 1.39 1.38 1.35 1.31 1.24 1.18 1.18 1.14 1.13 1.13 1.12 1.11 1.09 1.09 1.07 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 2 1 1 2 1 1 3 1 1 1 1 1 3 1 2 1 3 3 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:x2-y2 D:xy D:xy D:xz D:xz D:xz D:x2-y2 D:xy P:x P:x D:yz S P:x P:x S D:xz P:x S P:y D:z2 P:x D:z2 P:x S D:xy P:y D:xy S S P:x D:x2-y2 P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -5.688 -9.089 -9.089 -5.688 -4.492 -9.089 1.232 -9.089 -4.492 -9.089 -4.492 -9.089 1.232 0.031 -0.504 -4.492 1.232 1.232 -9.089 -4.492 -0.504 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 2.00 1.33 1.33 2.00 0.80 1.33 0.00 1.33 0.80 1.33 0.80 1.33 0.00 0.00 0.00 0.80 0.00 0.00 1.33 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">3 18 2 17 18 2 17 17 84 31 3 2 30 52 17 3 53 4 43 2 29 18 22 17 109 2 3 2 19 43 2 17 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W O O W W O O W W O W O W O W O W Cs 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">0.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">5.19 4.89 3.10 2.73 2.55 2.54 2.49 2.42 2.29 1.96 1.86 1.84 1.76 1.71 1.71 1.69 1.67 1.55 1.55 1.54 1.42 1.41 1.40 1.29 1.24 1.17 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 2 1 1 2 3 2 3 3 1 1 2 3 3 1 3 2 2 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:yz D:x2-y2 D:yz D:z2 S D:yz D:xy S S S S S D:x2-y2 D:x2-y2 S S S P:z S S P:y S D:z2 P:y P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -5.688 1.232 -5.688 1.232 1.232 -4.492 -4.492 -5.688 1.232 1.232 -9.089 1.232 -5.688 -0.436 -5.688 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 2.00 0.00 2.00 0.00 0.00 0.80 0.80 2.00 0.00 0.00 1.33 0.00 2.00 0.00 2.00 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">6 11 13 9 14 13 14 8 8 13 17 16 17 9 11 16 1 8 86 2 1 108 2 8 65 88 64 13</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 O W W Cs W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">8.48 8.13 4.28 3.83 3.83 3.72 3.63 3.56 3.49 3.47 3.41 3.32 3.27 2.70 2.64 2.33 1.90 1.65 1.64 1.52 1.34 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 3 2 3 2 2 2 3 2 1 2 1 2 3 2 1 3 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S P:y S P:z S P:y S S D:x2-y2 S D:z2 P:z S S D:z2 S D:xy S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.215 0.215 -0.436 1.232 -0.436 -5.688 -0.436 1.232 -5.688 0.031 -5.688 0.031 -0.436 1.232 -5.688 0.031 1.232 0.031 0.790 0.031 0.790 -6.493</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">108 109 108 8 109 8 109 13 13 108 19 109 108 19 4 108 4 109 101 108 103 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs W Cs W Cs W W Cs W Cs Cs W W Cs W Cs Tc Cs Tc H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">4.70 3.96 3.69 3.68 3.14 2.57 2.46 2.42 2.40 2.37 2.26 2.04 2.00 1.90 1.68 1.68 1.57 1.51 1.40 1.36 1.32 1.31 1.28 1.27 1.15 1.14 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 3 2 3 2 1 2 3 3 2 3 3 2 2 2 1 3 1 1 3 1 2 2 2 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz S S S S D:yz S S S P:z S S S S S D:yz S D:xy D:x2-y2 S D:yz P:x P:y S S S P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 1.232 -5.688 1.232 -5.688 -4.492 -5.688 1.232 1.232 -0.436 0.215 1.232 -5.688 -5.688 -5.688 -4.492 1.232 0.031 -4.492 1.232 -4.492 -0.436 -0.436 -5.688 1.232 -5.688 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.00 2.00 0.00 2.00 0.80 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.80 0.00 0.00 0.80 0.00 0.80 0.00 0.00 2.00 0.00 2.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">16 5 5 4 4 1 11 11 19 109 109 20 19 1 20 6 12 108 20 1 14 109 109 12 13 10 85 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W Cs Cs W W W W W W Cs W W W Cs Cs W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.832</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">10.07 5.20 3.80 3.78 3.61 3.09 3.07 2.48 2.27 2.27 2.17 2.12 2.08 2.06 1.87 1.73 1.71 1.70 1.58 1.52 1.24 1.18 1.14 1.13 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 2 3 2 3 2 1 3 2 1 1 3 2 3 1 3 1 2 2 2 3 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z S S S S D:yz S S D:z2 D:z2 S P:x S D:yz S D:yz S S P:x S D:yz D:yz S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-0.436 -0.436 1.232 -5.688 1.232 -5.688 -4.492 1.232 -5.688 -4.492 -4.492 1.232 -0.436 1.232 0.031 1.232 -4.492 -5.688 -5.688 -0.436 0.215 0.031 -4.492 -2.078 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 0.00 2.00 0.00 2.00 0.80 0.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.80 2.00 2.00 0.00 0.00 0.00 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">108 109 6 16 16 6 9 20 20 10 15 1 109 7 109 11 1 7 1 108 108 108 11 108 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs Cs W W W W W W W W W W Cs W Cs W W W W Cs Cs Cs W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.852</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">5.98 4.70 4.45 4.26 3.96 3.53 3.45 2.38 2.08 2.02 1.89 1.65 1.50 1.35 1.34 1.28 1.22 1.09 1.07 1.07 1.03 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 2 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:z2 D:yz D:x2-y2 D:x2-y2 D:z2 D:yz D:x2-y2 D:z2 P:y P:z P:y D:x2-y2 D:xy S P:z D:z2 D:x2-y2 D:xy S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -5.688 -9.089 -4.492 -4.492 -4.492 -5.688 -0.504</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 1.33 1.33 1.33 0.80 0.80 2.00 1.33 0.80 0.80 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">16 1 1 19 16 1 4 4 3 16 36 41 79 19 16 5 36 19 20 18 20 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W O O 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">0.880</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">9.27 8.99 5.81 5.27 4.89 3.12 2.99 2.95 2.22 2.21 2.16 2.10 1.81 1.79 1.70 1.49 1.47 1.40 1.38 1.34 1.34 1.28 1.20 1.17</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 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 P:y P:z D:yz D:yz P:y P:z P:z D:z2 P:z P:z P:y P:y D:x2-y2 S P:z P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -0.504 -0.504 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -24.020 -0.504 -9.089 -0.504 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.00 1.33 0.80 1.33 1.33 1.33 1.33 0.80 2.00 0.00 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">20 5 4 20 19 5 47 21 4 5 5 20 41 19 33 51 79 50 4 25 4 32 19 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O W W W W O W O O O O W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">6.67 6.04 5.49 3.34 2.55 2.41 2.01 1.96 1.90 1.79 1.77 1.68 1.60 1.59 1.57 1.54 1.51 1.35 1.35 1.33 1.32 1.22 1.19 1.12 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 1 1 1 1 1 2 2 1 1 1 2 3 2 2 1 3 2 1 1 2 2 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S D:z2 D:z2 D:z2 D:x2-y2 D:z2 S S P:z D:x2-y2 D:yz S S S S D:x2-y2 S S P:z P:y P:x P:z S D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.215 0.215 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -5.688 -9.089 -4.492 -4.492 -5.688 1.232 -5.688 -5.688 -4.492 1.232 -5.688 -9.089 -9.089 -0.436 -0.504 1.232 -4.492 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 0.80 0.80 0.80 0.80 0.80 2.00 2.00 1.33 0.80 0.80 2.00 0.00 2.00 2.00 0.80 0.00 2.00 1.33 1.33 0.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 109 10 15 14 10 9 16 1 87 14 9 14 16 6 8 15 1 11 67 78 108 10 14 14 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs W W W W W W W O W W W W W W W W W O O Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">3.81 3.64 3.51 3.40 3.32 3.23 3.20 3.15 2.97 2.74 2.72 2.57 2.28 2.16 2.15 2.14 2.12 2.03 2.01 1.94 1.90 1.89 1.31 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 2 2 3 3 2 2 3 2 1 3 3 3 2 3 3 2 2 3 2 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz S S S S S S S S D:yz S S S S S S S S S P:x D:z2 S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 -5.688 -4.492 1.232 1.232 1.232 -5.688 1.232 1.232 -5.688 -5.688 1.232 -0.436 -4.492 -5.688 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.80 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.80 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 12 17 12 13 10 13 10 2 11 17 8 2 15 15 9 7 8 7 109 15 9 1 14</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 Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">5.37 4.47 4.32 4.00 3.66 3.51 2.54 2.29 1.97 1.60 1.60 1.56 1.55 1.50 1.43 1.42 1.35 1.29 1.24 1.15 1.14 1.12 1.11 1.11 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 2 1 1 1 1 2 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:x2-y2 D:xz D:xz D:xy D:x2-y2 D:xz D:xy D:z2 P:y D:x2-y2 D:x2-y2 P:x S D:z2 P:x P:x P:x P:x P:x P:y D:z2 D:xz D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -5.688 -4.492 -9.089 -9.089 -9.089 -0.504 -9.089 -0.504 -4.492 -4.492 0.031 -24.020</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 1.33 0.80 0.80 1.33 2.00 0.80 1.33 1.33 1.33 0.00 1.33 0.00 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">12 13 12 7 8 7 8 7 10 54 15 12 23 7 12 91 96 64 7 93 12 8 13 108 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W O W W O W W O O O W O W W W Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.976</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">3.68 3.38 3.32 3.13 3.10 3.04 2.94 2.80 2.61 2.44 2.43 2.39 2.20 2.07 2.04 1.95 1.89 1.65 1.62 1.61 1.60 1.52 1.49 1.46 1.29 1.16 1.15 1.11 1.10 1.10 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">2 2 2 2 3 3 3 3 2 2 2 3 3 2 2 2 1 1 2 1 1 1 2 1 3 3 1 1 3 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S S S S S S S S S D:xy D:z2 S D:xy D:xy D:xz S D:x2-y2 S S D:yz D:x2-y2 S S D:yz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -5.688 0.031 0.031 -5.688 -4.492 -4.492 -4.492 -5.688 0.031 1.232 1.232 -4.492 -4.492 1.232 1.232 0.031 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.80 0.80 0.80 2.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">10 1 15 16 6 11 1 16 14 9 18 10 15 3 6 11 108 109 2 8 12 7 17 109 18 14 6 7 2 3 108 9 1</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 Cs Cs W W W W W Cs W W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.977</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">7.20 6.29 5.04 4.33 3.27 2.87 1.96 1.94 1.78 1.69 1.63 1.62 1.49 1.23 1.23 1.21 1.16 1.10 1.07 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 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:xy D:z2 D:yz D:xy D:z2 P:y D:z2 D:yz P:x P:z P:y P:x D:yz D:z2 P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -0.504 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.00 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">11 6 13 11 6 6 9 8 8 62 14 14 64 62 60 13 6 15 70 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W O W W O O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="31">4.84 4.72 4.55 4.19 4.15 3.19 3.08 2.74 2.72 2.54 2.52 2.52 2.39 2.34 2.27 2.24 1.98 1.81 1.63 1.55 1.41 1.39 1.38 1.37 1.37 1.30 1.24 1.20 1.16 1.15 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 2 3 2 2 2 2 2 3 3 3 3 1 2 2 3 2 1 3 1 1 2 2 3 1 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S D:x2-y2 S S S S D:x2-y2 S D:z2 S S S S D:yz S D:z2 S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 1.232 -4.492 -5.688 -5.688 1.232 -5.688 -4.492 1.232 -4.492 -6.493 -5.688 -5.688 1.232 -4.492 1.232 0.031 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 2.00 2.00 0.00 2.00 0.80 0.00 0.80 1.00 2.00 2.00 0.00 0.80 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">19 18 18 3 3 13 8 4 14 9 14 9 13 8 5 6 5 6 20 19 19 20 104 12 11 12 16 5 108 11 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W W W W W W W W W W W H W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.092</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">9.35 8.87 5.82 3.27 3.15 3.08 2.99 2.95 2.63 2.09 1.79 1.62 1.49 1.49 1.30 1.26 1.22 1.20 1.14 1.08 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 3 1 1 2 1 1 1 2 2 3 1 3 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S D:x2-y2 D:xy P:z D:xz D:yz D:z2 S S S D:yz S D:z2 D:x2-y2 D:xz D:yz D:x2-y2 P:y P:x S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-5.688 1.232 -4.492 -4.492 -0.436 -4.492 -4.492 -4.492 -5.688 -5.688 1.232 -4.492 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -0.436 -6.493 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 0.00 0.80 0.80 0.00 0.80 0.80 0.80 2.00 2.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 1.33 0.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">4 4 5 2 108 17 2 3 19 17 17 3 19 20 4 3 17 1 47 109 105 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W Cs W W W W W W W W W W W W W O Cs H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.107</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.28 4.18 3.25 2.75 2.69 2.52 2.49 2.26 2.25 2.15 2.07 1.73 1.71 1.45 1.41 1.40 1.37 1.32 1.24 1.20 1.17 1.17 1.11 1.11 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 1 3 3 2 2 2 2 1 2 1 1 2 2 1 3 2 1 3 3 1 2 1 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S D:yz S S S P:y S S D:z2 S D:x2-y2 D:xy P:y S D:xz S S S S S D:xz S D:xy S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">1.232 -4.492 1.232 1.232 -5.688 -0.436 -5.688 0.790 -4.492 -5.688 -4.492 -4.492 -0.436 -5.688 -4.492 1.232 -5.688 -6.493 1.232 1.232 -4.492 -5.688 -4.492 1.232 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.80 0.00 0.00 2.00 0.00 2.00 0.00 0.80 2.00 0.80 0.80 0.00 2.00 0.80 0.00 2.00 1.00 0.00 0.00 0.80 2.00 0.80 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">19 18 18 2 19 109 2 100 20 7 19 18 108 18 7 7 11 105 11 6 17 6 19 3 12 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W Cs W Tc W W W W Cs W W W W H 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">1.140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">4.51 4.11 3.97 3.92 3.79 3.32 3.24 3.21 3.09 2.69 2.38 2.31 2.21 2.20 1.99 1.88 1.74 1.61 1.58 1.55 1.48 1.42 1.32 1.27 1.20 1.20 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 1 3 3 1 1 3 3 3 3 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S P:y S P:x P:z P:x S S S S S P:y D:z2 S S D:x2-y2 D:x2-y2 S S S S D:z2 P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -0.436 -5.688 -0.436 -0.436 -0.436 -5.688 1.232 1.232 1.232 1.232 -0.436 -4.492 0.215 1.232 0.031 -4.492 0.215 1.232 1.232 1.232 0.031 -0.436 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">8 15 13 10 109 17 108 108 109 2 8 13 15 10 108 4 108 17 109 19 109 20 5 2 108 109 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W Cs W Cs Cs Cs W W W W W Cs W Cs W Cs W Cs W W W Cs Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.164</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">6.79 6.04 5.94 5.92 5.91 5.88 5.39 5.20 4.10 3.47 -3.32 3.27 3.01 -2.89 -2.57 2.36 2.32 2.27 2.23 2.14 -2.10 -1.94 1.88 1.80 1.72 1.53 1.52 1.39 1.39 1.21 1.15 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 2 2 3 3 3 3 3 2 1 2 3 1 2 2 2 3 2 2 2 2 2 2 1 3 3 1 1 3 2 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 P:y P:x S S S D:x2-y2 S S S S S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 1.232 1.232 -5.688 -5.054 -5.688 1.232 -5.054 0.790 -5.688 -5.688 1.232 -5.688 -0.436 2.224 0.790 -5.688 -5.688 -4.492 1.232 1.232 -6.493 -6.493 0.215 -0.436 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.80 0.00 0.00 1.00 1.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">7 20 5 12 7 20 5 12 14 14 103 16 9 101 103 3 9 3 10 109 107 101 1 18 15 16 18 104 105 109 108 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W Tc W W Tc Tc W W W W Cs P Tc W W W W W H H Cs Cs 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">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">7.22 6.03 4.96 4.72 4.20 3.86 3.73 3.52 3.34 2.61 2.56 2.41 2.24 2.24 2.11 2.08 1.92 1.87 1.76 1.56 1.54 1.52 1.48 1.44 1.42 1.39 1.33 1.24 1.24 1.22 1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 1 3 2 2 2 3 2 2 1 1 3 2 1 2 3 2 3 2 1 2 1 3 1 2 3 3 3 3 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S D:z2 S P:y S S S S S D:xz D:z2 S S S S S P:x S S S P:x D:xy S S S S S S S D:x2-y2 S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-5.688 0.031 1.232 -0.436 -5.688 -5.688 1.232 -5.688 -5.688 0.031 -4.492 1.232 -5.688 -5.054 -5.688 1.232 -0.436 0.215 -5.688 -5.054 -0.436 -4.492 1.232 -6.493 -5.688 1.232 1.232 1.232 1.232 -4.492 -5.688 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.80 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.80 0.00 1.00 2.00 0.00 0.00 0.00 0.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">4 109 4 108 2 8 8 6 10 108 4 2 5 101 1 10 109 108 3 103 108 2 6 105 14 5 14 1 3 1 13 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W Cs W Cs W W W W W Cs W W W Tc W W Cs Cs W Tc Cs W W H W W W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.205</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">9.89 7.55 5.17 4.83 4.68 4.31 3.97 3.40 3.28 3.07 2.82 2.60 2.27 2.23 2.11 1.83 1.81 1.76 1.52 1.48 1.47 1.43 1.33 1.17 1.05 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 3 2 2 2 3 2 1 2 1 2 3 3 1 1 3 3 1 2 1 1 3 1 3 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S P:z S S S S D:z2 S S S S S D:xy D:x2-y2 S S S S D:xz D:yz S D:z2 S D:xz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 1.232 -0.436 -5.688 -5.688 1.232 -5.688 0.031 -5.688 -5.054 -5.688 1.232 1.232 0.031 0.031 0.215 1.232 -5.054 -5.688 -4.492 -4.492 1.232 -4.492 1.232 0.031 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 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 0.00 0.80 0.00 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 19 109 17 13 13 15 108 20 101 11 17 15 109 108 109 20 103 9 17 19 9 20 11 109 16 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W Cs W W W W Cs W Tc W W W Cs Cs Cs W Tc W W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">3.90 3.45 3.28 3.16 2.50 2.48 2.21 1.99 1.98 1.91 1.86 1.83 1.65 1.64 1.59 1.54 1.53 1.47 1.46 1.32 1.19 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 3 1 2 1 1 3 1 1 2 3 1 3 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:xz D:yz D:xy D:yz S D:x2-y2 S D:z2 D:x2-y2 S P:y D:yz S S D:yz S D:x2-y2 D:xy S P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 0.215 -4.492 -5.688 -4.492 -4.492 1.232 -9.089 -4.492 -5.688 1.232 -4.492 0.215 -4.492 -4.492 1.232 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.00 0.80 2.00 0.80 0.80 0.00 1.33 0.80 2.00 0.00 0.80 0.00 0.80 0.80 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">9 7 8 8 6 108 10 2 10 15 8 81 7 17 9 12 109 8 9 2 65 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W Cs W W W W W O W W W W Cs W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">25.17 23.56 4.17 3.71 3.27 2.39 2.36 2.16 2.15 -2.11 2.11 -1.92 1.86 1.84 1.61 1.26 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">3 3 2 3 2 2 3 2 1 2 1 2 1 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S D:x2-y2 S D:yz S D:xz S S D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 1.232 -5.688 -5.688 1.232 -5.688 -4.492 -2.078 -4.492 -2.078 0.031 1.232 1.232 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.80 1.00 0.80 1.00 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">108 109 10 10 15 17 15 2 15 109 11 108 109 2 17 13 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Cs Cs W W W W W W W Cs W Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.03 3.64 3.39 2.98 2.88 2.74 2.30 1.95 1.79 1.73 1.69 1.66 1.60 1.57 1.50 1.31 1.25 1.23 1.20 1.18 1.17 1.13 1.03 1.02 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 1 3 1 1 3 1 1 1 2 1 1 1 1 3 2 3 2 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S D:z2 S D:xy D:xy S D:x2-y2 D:x2-y2 D:yz S D:yz D:yz S D:z2 S P:x S S D:z2 S S D:yz D:x2-y2 D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 1.232 -4.492 1.232 0.031 -4.492 0.215 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -6.493 -4.492 1.232 -0.436 0.215 -5.688 0.031 -5.688 0.790 -4.492 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 0.00 0.80 0.00 0.00 0.80 0.00 0.80 0.80 0.80 2.00 0.80 0.80 1.00 0.80 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 15 14 13 108 12 109 14 11 11 12 12 13 104 13 17 108 108 17 109 13 102 6 9 103 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W Cs W Cs W W W W W W H W W Cs Cs W Cs W Tc W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">7.13 6.07 4.19 3.65 3.42 3.32 3.11 3.01 2.71 2.28 2.26 2.23 2.16 2.14 1.72 1.68 1.62 1.61 1.53 1.43 1.43 1.32 1.30 1.27 1.23 1.18 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 1 2 2 2 1 1 2 3 2 3 2 1 3 2 2 3 2 2 2 1 1 1 1 2 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y D:yz P:z S S D:xy D:yz S S P:x S S D:xz S S S S S S S D:yz D:xy D:yz D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-0.436 0.031 -0.436 -5.688 -5.688 0.031 0.031 -5.688 1.232 -0.436 1.232 -5.688 0.031 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 -4.492 -4.492 -4.492 -4.492 -5.688 1.232 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">108 108 109 5 7 109 109 20 5 109 7 12 108 20 19 16 12 6 1 8 11 2 6 1 4 19 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs Cs Cs W W Cs Cs W W Cs W W Cs 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">1.360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="17">13.40 10.60 5.65 3.36 3.17 2.74 2.41 2.01 1.88 1.66 1.61 1.58 1.50 1.32 1.28 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:yz D:yz D:xy D:xy S S D:x2-y2 S D:x2-y2 D:x2-y2 D:x2-y2 S S D:xz S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 -5.054 0.790 -4.492 0.790 -4.492 -4.492 0.031 -5.688 -5.054 0.031 -5.688 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 0.80 0.80 0.00 2.00 2.00 0.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">109 108 109 108 101 103 20 101 14 5 109 11 103 109 6 4 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Cs Cs Cs Cs Tc Tc W Tc W W Cs W Tc Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.439</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">4.93 4.55 4.52 4.15 2.92 2.70 2.49 2.32 2.16 1.93 1.76 1.75 1.71 1.70 1.69 1.67 1.45 1.43 1.39 1.34 1.33 1.20 1.17 1.15 1.15 1.12 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 2 2 1 3 3 1 2 2 2 1 1 1 3 1 2 2 3 1 2 1 1 3 1 3 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy S S D:xz S S D:x2-y2 S S S D:x2-y2 P:y D:xy S D:z2 S S S P:x S D:xy D:z2 S P:y S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -5.688 -5.688 -4.492 1.232 1.232 -4.492 -5.688 -5.688 -5.688 -4.492 -9.089 -4.492 1.232 -4.492 -5.688 -5.688 1.232 -9.089 -5.688 0.031 -4.492 0.215 -9.089 0.215 1.232 1.232 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 2.00 2.00 0.80 0.00 0.00 0.80 2.00 2.00 2.00 0.80 1.33 0.80 0.00 0.80 2.00 2.00 0.00 1.33 2.00 0.00 0.80 0.00 1.33 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">2 6 11 17 11 6 17 1 13 16 3 43 18 2 2 8 19 17 84 4 108 4 109 27 108 13 1 19 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W O W W W W W W O W Cs W Cs O Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.483</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">12.69 4.87 4.17 3.73 3.26 3.04 2.75 2.71 2.52 2.26 2.16 2.08 1.98 1.60 1.54 1.43 1.39 1.30 1.24 1.20 1.15 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:xz D:x2-y2 D:yz D:yz D:x2-y2 D:yz D:x2-y2 D:z2 D:yz D:yz D:xz D:xz P:x P:x D:x2-y2 D:z2 D:z2 D:xz P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.031 -4.492 0.031 -4.492 0.031 -4.492 -4.492 0.031 -4.492 -4.492 -4.492 -4.492 -0.436 -0.436 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.80 0.00 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">108 109 4 109 2 109 17 20 109 3 18 17 2 109 108 19 17 19 19 95 18 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs W Cs W Cs W W Cs W W W W Cs Cs W W W W O W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">6.23 3.86 3.64 3.29 3.14 2.95 2.91 2.64 2.61 2.57 2.49 2.28 2.25 2.02 2.01 1.91 1.91 1.78 1.74 1.61 1.56 1.56 1.44 1.42 1.39 1.37 1.25 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 2 2 2 3 2 1 2 1 2 3 1 3 1 2 1 1 3 1 2 1 1 3 1 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 S S D:z2 S D:x2-y2 S D:x2-y2 D:yz S D:x2-y2 S D:x2-y2 D:yz S P:z P:y D:yz D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 -4.492 -5.688 0.031 -5.688 1.232 -4.492 1.232 -4.492 -5.688 0.031 -4.492 1.232 -4.492 -5.688 0.031 -4.492 1.232 -9.089 -9.089 -4.492 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.80 2.00 0.00 2.00 0.00 0.80 0.00 0.80 2.00 0.00 0.80 0.00 0.80 2.00 0.00 0.80 0.00 1.33 1.33 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">1 16 14 15 18 15 2 10 17 109 9 1 14 10 15 10 109 11 16 9 3 108 9 2 87 78 14 6 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W Cs W W W W W W Cs W W W W Cs W W O O W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="19">11.44 11.06 10.69 2.88 2.84 2.55 2.54 2.44 2.34 1.87 1.80 1.68 1.65 1.55 1.39 1.36 1.25 1.24 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 2 2 2 1 1 1 2 1 2 1 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:z2 D:xy D:xz D:xy D:x2-y2 S S S D:x2-y2 D:xz D:z2 S D:yz S D:x2-y2 S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 0.031 -4.492 -5.688 -5.688 -5.688 0.031 0.031 0.031 -5.688 -4.492 -5.688 -4.492 1.232 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.00 0.00 0.00 0.00 0.00 0.80 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 2.00 0.80 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">108 109 109 108 108 20 6 16 14 108 109 108 18 2 17 5 18 10 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Cs Cs Cs Cs Cs W W W W Cs Cs Cs W W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.575</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">6.01 5.84 3.92 3.76 3.66 3.65 3.29 3.19 2.99 2.69 2.62 2.52 2.38 2.09 2.04 1.96 1.89 1.75 1.74 1.73 1.40 1.09 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 3 3 2 3 2 3 2 1 1 1 2 1 1 2 1 1 1 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:x2-y2 S S S S S S S D:z2 P:y D:xy S P:z D:xz S D:xz D:yz D:z2 S D:xy S D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 1.232 1.232 -5.688 1.232 -5.688 1.232 -5.688 0.031 -9.089 0.031 -5.688 -9.089 0.031 -5.688 -4.492 0.031 -4.492 -5.688 -4.492 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 1.33 0.00 2.00 1.33 0.00 2.00 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">10 15 3 14 3 9 18 18 11 108 78 108 9 87 108 6 17 109 15 14 2 1 15 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W Cs O Cs W O Cs W W Cs W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="34">6.08 5.56 4.52 4.29 3.67 3.39 3.07 2.96 2.83 2.75 2.67 2.33 2.33 2.17 -1.87 1.71 1.70 1.69 1.67 1.52 1.44 1.44 1.43 1.40 1.36 -1.33 1.29 1.23 1.20 1.20 1.19 -1.12 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">2 2 1 1 1 2 1 3 2 2 2 3 3 3 2 2 2 1 2 1 3 2 3 1 3 2 1 1 1 3 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S D:z2 D:xy D:x2-y2 S D:xy S S S S S S S S S S S S P:z S S S P:y S S D:xz P:y D:xz S S P:x S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-5.688 -5.688 -4.492 0.031 -4.492 -5.688 -4.492 1.232 -5.688 -5.688 -5.688 1.232 1.232 1.232 -2.078 0.790 -5.688 -5.054 -5.688 -9.089 1.232 0.790 1.232 -5.485 1.232 -2.078 -4.492 -9.089 0.031 1.232 -5.054 2.224 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">2.00 2.00 0.80 0.00 0.80 2.00 0.80 0.00 2.00 2.00 2.00 0.00 0.00 0.00 1.00 0.00 2.00 2.00 2.00 1.33 0.00 0.00 0.00 1.00 0.00 1.00 0.80 1.33 0.00 0.00 2.00 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">18 14 20 108 5 9 12 2 19 3 2 14 19 9 108 101 7 101 5 21 8 103 4 106 3 109 20 47 109 18 103 106 13 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W Cs W W W W W W W W W W Cs Tc W Tc W O W Tc W P W Cs W O Cs W Tc P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.624</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">12.94 11.89 5.79 5.08 3.94 3.71 3.10 2.86 2.86 -2.80 2.63 2.14 2.09 1.92 1.84 1.72 1.70 1.67 1.42 1.42 1.41 1.29 -1.29 -1.27 1.25 1.19 1.18 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 3 2 2 1 1 3 3 2 3 2 1 2 2 1 1 3 1 2 1 3 2 2 2 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S D:x2-y2 D:xz S S S S S D:xz S S D:z2 S S P:z S P:y S P:x S S S D:xz D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 -5.688 -4.492 0.031 1.232 1.232 -2.078 1.232 0.790 -4.492 -5.688 0.790 -4.492 -5.054 1.232 -5.485 -5.688 -9.089 1.232 2.224 -2.078 -5.688 -5.054 0.031 0.031 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 2.00 0.00 2.00 2.00 0.80 0.00 0.00 0.00 1.00 0.00 0.00 0.80 2.00 0.00 0.80 2.00 0.00 1.00 2.00 1.33 0.00 0.00 1.00 2.00 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">9 3 9 14 18 5 109 3 14 109 17 101 7 17 103 20 101 18 106 4 47 15 106 108 15 103 108 108 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W Cs W W Cs W Tc W W Tc W Tc W P W O W P Cs W Tc Cs Cs 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">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.22 4.02 3.89 3.66 3.46 3.36 2.87 2.57 1.93 1.92 1.86 1.78 1.74 1.66 1.64 1.63 1.58 1.47 1.37 1.30 1.24 1.22 1.20 1.20 1.18 1.12 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 1 1 1 2 2 1 1 1 1 2 1 2 1 3 2 1 2 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y D:z2 D:x2-y2 D:x2-y2 P:x P:z D:xz D:x2-y2 D:z2 D:yz P:z D:yz P:x D:yz S S D:x2-y2 S D:z2 D:yz D:xz D:xy P:y S D:x2-y2 D:z2 D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-0.436 0.031 0.031 -4.492 -0.436 -0.436 0.031 -4.492 0.031 -4.492 -0.436 -4.492 -0.436 -4.492 0.215 -5.688 -4.492 -5.688 -4.492 -4.492 -4.492 0.031 -0.436 -5.688 0.031 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.80 0.00 0.80 0.00 2.00 0.80 2.00 0.80 0.80 0.80 0.00 0.00 2.00 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">108 108 109 10 109 109 108 14 109 12 108 8 108 13 109 16 15 18 9 7 15 109 109 14 108 15 12 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs Cs Cs W Cs Cs Cs W Cs W Cs W Cs W Cs W W W W W W Cs Cs W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">6.41 5.77 4.12 4.07 3.92 3.09 3.04 2.61 2.35 2.14 2.05 1.99 1.62 1.50 1.41 1.35 1.32 1.30 1.30 1.20 1.17 1.16 1.13 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 2 1 3 3 3 2 1 3 3 1 2 3 1 2 1 1 1 2 3 2 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S D:xz S S S S D:xy S S D:yz S S D:z2 S D:z2 D:yz D:yz S S S D:xz D:z2 S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.688 -5.688 -4.492 1.232 1.232 0.215 -5.688 -4.492 1.232 0.215 -4.492 -5.688 1.232 0.031 -5.688 -4.492 0.031 -4.492 -5.688 1.232 -5.688 0.031 -4.492 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 0.80 0.00 0.00 0.00 2.00 0.80 0.00 0.00 0.80 2.00 0.00 0.00 2.00 0.80 0.00 0.80 2.00 0.00 2.00 0.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">20 5 7 5 20 108 1 12 8 109 1 16 13 109 12 20 109 16 8 16 13 109 4 1 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W Cs W W W Cs W W W Cs W W Cs W W W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">6.89 6.82 6.58 4.51 4.15 3.86 3.50 3.21 3.08 2.44 2.34 1.98 1.50 1.43 1.42 1.40 1.38 1.37 1.30 1.20 1.16 1.12 1.12 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 2 2 3 3 2 3 2 3 3 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S S S D:xy D:xy D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:xz P:y S D:x2-y2 D:x2-y2 P:y P:x P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 1.232 1.232 -5.688 1.232 -5.688 0.215 1.232 0.031 -4.492 0.031 -4.492 -4.492 -4.492 -4.492 -9.089 -5.688 -4.492 0.031 -0.436 -0.436 -9.089 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 1.33 2.00 0.80 0.00 0.00 0.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">7 11 12 7 12 5 11 20 108 5 108 12 109 12 11 13 15 69 16 15 108 108 109 54 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W Cs W Cs W Cs W W W W O W W Cs Cs Cs O 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">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.12 4.98 4.26 4.21 3.02 2.85 2.40 2.34 2.17 2.07 2.03 1.97 1.93 1.55 1.52 1.48 1.47 1.45 1.36 1.33 1.33 1.28 1.26 1.25 1.23 1.12 1.10 1.08 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 2 3 1 3 2 3 2 1 1 3 1 2 2 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 S S D:x2-y2 S S S S D:yz D:z2 S D:xz P:y S P:x D:xz P:z D:yz S D:xz S D:yz S D:xy D:x2-y2 D:x2-y2 P:z P:x D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">0.031 -5.688 0.215 -4.492 1.232 -5.688 1.232 -5.688 -4.492 0.031 1.232 -4.492 -0.436 -5.688 -0.436 0.031 -9.089 -4.492 -5.688 -4.492 -5.688 -4.492 0.790 -4.492 0.031 -4.492 -0.436 -9.089 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 2.00 0.00 0.80 0.00 2.00 0.00 2.00 0.80 0.00 0.00 0.80 0.00 2.00 0.00 0.00 1.33 0.80 2.00 0.80 2.00 0.80 0.00 0.80 0.00 0.80 0.00 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">109 6 109 10 6 12 20 20 7 108 12 7 108 10 108 108 56 12 1 12 7 13 102 8 108 14 109 82 7 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Cs W Cs W W W W W W Cs W W Cs W Cs Cs O W W W W W Tc W Cs W Cs O W 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">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.52 9.44 7.21 5.79 5.33 5.13 3.12 2.44 2.21 2.12 2.00 1.97 1.82 1.63 1.50 1.50 1.33 1.31 1.29 1.24 1.17 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 2 1 1 2 2 2 2 2 2 2 2 3 2 2 2 3 1 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz P:z D:xy D:xy P:y P:y S P:z S S S S S S P:x S S D:x2-y2 S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.031 -0.436 0.031 0.031 -0.436 -0.436 -5.688 -0.436 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 -0.436 -5.688 1.232 -4.492 -5.688 0.215 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.80 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">108 109 109 108 109 108 109 6 108 16 13 8 19 16 11 109 7 13 5 12 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs Cs Cs Cs Cs W Cs W W W W W W Cs W W W W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.836</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">7.71 6.00 5.36 3.78 3.64 3.40 3.20 3.09 2.47 2.46 2.20 2.09 2.05 2.04 1.82 1.79 1.77 1.74 1.61 1.50 1.47 1.47 1.43 1.34 1.27 1.24 1.21 1.20 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:yz D:yz S P:y S D:yz D:z2 D:x2-y2 P:y P:z D:xz D:yz P:y P:y S P:z D:xz D:xz D:yz S S S S P:z D:x2-y2 P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 1.232 -4.492 -4.492 -5.054 -0.436 -6.493 0.031 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -5.485 -5.688 -5.485 0.031 -4.492 -4.492 -5.054 -5.688 2.471 0.215 -9.089 -4.492 -9.089 -4.492 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.80 0.80 2.00 0.00 1.00 0.00 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.00 2.00 1.00 0.00 0.80 0.80 2.00 2.00 0.00 0.00 1.33 0.80 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 16 16 1 101 108 105 109 19 4 32 51 18 18 46 106 1 106 109 2 3 100 4 105 108 85 1 85 19 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W Tc Cs H Cs W W O O W W O P W P Cs W W Tc W H Cs O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="33">5.96 4.52 4.21 4.13 3.97 3.39 2.69 2.61 2.31 2.26 2.05 1.95 1.77 1.49 1.46 1.42 1.40 1.39 1.36 1.32 1.31 1.21 1.19 1.16 1.15 1.14 1.13 1.12 1.10 1.07 1.07 -1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 1 1 2 3 2 3 3 2 3 2 2 1 1 1 1 1 1 1 2 1 1 1 2 3 2 2 1 1 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S D:yz D:yz S S S S S S S S S P:x D:yz D:xy D:xz D:x2-y2 D:x2-y2 D:yz S D:x2-y2 D:x2-y2 P:z S S S P:z D:xz S D:xz P:y S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">0.215 0.031 0.031 -5.688 1.232 -5.688 0.215 1.232 -5.688 1.232 -5.688 -2.078 -5.485 -4.492 0.031 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -5.485 0.790 1.232 -5.688 -0.436 -4.492 -5.054 -4.492 -0.436 0.790 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 1.00 1.00 0.80 0.00 0.80 0.80 0.80 0.80 2.00 0.80 0.80 1.00 0.00 0.00 2.00 0.00 0.80 2.00 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">109 108 109 18 18 9 108 3 3 9 7 108 106 2 108 17 15 5 17 14 10 16 106 102 2 20 109 20 101 5 109 101 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">Cs Cs Cs W W W Cs W W W W Cs P W Cs W W W W W W W P Tc W W Cs W Tc W Cs Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">4.92 4.46 3.51 3.05 2.87 2.87 2.46 2.39 2.35 2.12 2.08 2.06 1.82 1.72 1.66 1.65 1.48 1.38 1.37 1.27 1.26 1.23 1.16 1.15 1.11 1.11 1.06 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 3 3 1 1 1 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S D:yz D:yz D:yz S S S S S S D:xy P:z D:xz S P:y D:xz P:y D:x2-y2 D:yz P:y D:xy D:yz D:x2-y2 P:z D:x2-y2 S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">0.790 1.232 1.232 -4.492 -4.492 0.031 1.232 -5.688 -6.493 -5.054 -6.493 -5.054 0.031 -5.485 -4.492 0.790 -5.485 -4.492 -9.089 -4.492 -4.492 -9.089 0.031 -4.492 -4.492 -9.089 -4.492 0.215 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.80 0.80 0.00 0.00 2.00 1.00 2.00 1.00 2.00 0.00 1.00 0.80 0.00 1.00 0.80 1.33 0.80 0.80 1.33 0.00 0.80 0.80 1.33 0.80 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">100 11 6 11 6 108 18 18 104 103 105 102 109 107 8 101 107 12 88 20 13 66 108 8 5 97 14 108 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc W W W W Cs W W H Tc H Tc Cs P W Tc P W O W W O Cs W W O W Cs P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">8.57 5.21 4.49 3.39 3.27 3.07 2.90 2.44 2.43 1.90 1.84 1.62 1.48 1.46 1.40 1.34 1.25 1.24 1.24 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">2 1 2 1 3 1 1 2 3 3 1 2 2 3 1 2 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S P:x S D:x2-y2 D:x2-y2 S S S D:x2-y2 S S S D:x2-y2 S D:xz S D:x2-y2 D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">0.790 -6.493 0.790 -5.485 1.232 -4.492 -4.492 0.790 1.232 1.232 -4.492 -5.688 -5.688 1.232 -4.492 -5.688 -4.492 0.790 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 1.00 0.00 1.00 0.00 0.80 0.80 0.00 0.00 0.00 0.80 2.00 2.00 0.00 0.80 2.00 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">100 105 101 107 6 11 10 102 11 18 14 18 5 5 15 3 15 103 6 15 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc H Tc P W W W Tc W W W W W W W W W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.028</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">8.91 7.86 6.55 5.38 4.87 4.53 4.42 4.22 3.79 3.67 3.02 2.96 2.14 1.57 1.40 1.32 1.25 1.24 1.17 1.16 1.14 1.14 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 1 2 2 1 3 2 2 1 2 3 1 2 2 1 2 1 2 2 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S D:x2-y2 S P:y D:xz S S P:z D:z2 P:x S D:xy P:x S D:z2 S D:xy S S S D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.688 -5.688 0.031 -5.688 -0.436 0.031 0.215 -5.688 -0.436 0.031 -0.436 0.215 0.031 -0.436 -5.688 -4.492 -5.688 -4.492 -5.688 -5.688 -5.688 0.031 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">9 14 109 3 109 108 108 18 108 108 108 109 109 109 15 14 16 18 10 1 2 109 17 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W Cs W Cs Cs Cs W Cs Cs Cs Cs Cs Cs W W W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">7.62 6.09 5.98 5.83 5.47 4.73 4.12 3.68 3.57 -3.43 3.13 2.76 2.05 2.04 1.91 1.83 1.77 -1.69 1.63 1.55 1.31 1.24 -1.23 1.22 -1.14 1.14 1.12 1.11 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 3 3 1 1 1 2 2 2 1 2 1 1 2 1 2 2 1 2 2 2 2 1 2 1 2 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S S D:z2 S D:xz S P:z D:yz P:z P:y D:x2-y2 D:x2-y2 S S S D:xy P:y D:x2-y2 D:xz S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 0.215 1.232 1.232 -6.493 -5.054 -5.054 -5.688 -5.688 -2.078 0.031 0.790 0.031 -5.054 -0.436 0.031 -0.436 -0.436 0.031 4.055 2.471 0.790 -2.078 -4.492 9.585 -4.492 4.055 1.232 -0.436 0.790</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 0.00 0.00 1.00 2.00 2.00 2.00 2.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.80 0.00 0.80 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">14 108 9 12 104 102 101 12 9 109 109 102 108 103 108 109 109 109 108 8 104 100 108 8 72 9 8 15 109 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W Cs W W H Tc Tc W W Cs Cs Tc Cs Tc Cs Cs Cs Cs Cs W H Tc Cs W O W W W Cs Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.110</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">14.55 9.09 8.55 8.40 5.48 5.27 4.92 4.88 -4.10 3.92 2.79 2.41 1.78 -1.55 1.51 1.44 1.36 -1.23 1.18 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">2 3 2 1 1 3 3 1 2 2 2 3 1 2 2 3 2 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S D:xy D:z2 S S D:xz S S P:x S S S S S D:xz P:x D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 0.031 0.031 0.215 1.232 0.031 -2.078 -5.688 -0.436 1.232 -5.054 -2.078 -5.688 1.232 4.055 -0.504 0.031 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 0.00 2.00 1.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">3 3 18 108 109 109 20 109 108 20 109 17 101 109 16 4 4 4 109 5 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W Cs Cs Cs W Cs Cs W Cs W Tc Cs W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">8.73 7.17 6.70 6.19 5.60 5.12 -5.01 4.29 3.93 3.75 2.87 2.73 2.44 1.98 1.65 1.44 1.37 1.28 1.27 1.18 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 2 3 2 1 3 2 1 3 2 2 1 1 3 1 1 1 2 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S D:x2-y2 S S D:z2 S S P:y S D:yz S D:xy D:xz P:x S D:x2-y2 S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 -5.688 0.031 0.215 -2.078 0.031 1.232 -5.688 -0.436 -5.054 0.031 1.232 0.031 -4.492 -5.485 -5.688 -4.492 -5.688 -4.492 0.215</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 2.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 1.00 2.00 0.80 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 14 7 9 108 109 108 109 10 7 109 101 108 13 109 7 107 11 6 6 10 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W Cs Cs Cs Cs W W Cs Tc Cs W Cs W P W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">35.98 10.20 9.77 8.44 8.33 5.79 5.33 5.00 3.65 2.92 2.61 2.29 -2.02 -1.93 -1.59 1.39 -1.13 -1.12 1.08 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 2 1 1 1 1 2 2 2 2 2 1 3 3 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S D:z2 D:x2-y2 S S D:xy S D:x2-y2 D:yz S S S S P:z S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-5.054 -5.054 0.031 0.031 -14.028 0.790 0.031 -14.028 0.031 0.031 3.429 3.429 -5.688 -5.688 -0.436 -5.054 1.232 1.232 -5.688 -5.688 11.940</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">103 101 108 109 107 103 109 106 108 109 107 106 7 12 108 100 12 7 14 10 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Cs Cs P Tc Cs P Cs Cs P P W W Cs Tc W W W W Tc</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
