<?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">2025-05-07T04:12:29.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">SINGLE POINT</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBE0                                    == Not Default ==</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.3">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.4">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="5.986953"
                        y3="3.578337"
                        z3="-0.050821"/>
                  <atom elementType="W"
                        id="a2"
                        x3="7.878281"
                        y3="1.749017"
                        z3="2.643990"/>
                  <atom elementType="W"
                        id="a3"
                        x3="4.190579"
                        y3="1.876067"
                        z3="-2.543212"/>
                  <atom elementType="W"
                        id="a4"
                        x3="7.747715"
                        y3="1.850627"
                        z3="-2.523770"/>
                  <atom elementType="W"
                        id="a5"
                        x3="4.083845"
                        y3="1.739334"
                        z3="2.607131"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-11.340163"
                        y3="-0.016833"
                        z3="-0.157035"/>
                  <atom elementType="O"
                        id="a7"
                        x3="11.370357"
                        y3="-0.016833"
                        z3="-0.157035"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="9.399805"
                        y3="-0.010500"
                        z3="0.195344"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-4.701840"
                        y3="0.008319"
                        z3="0.871842"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="2.484838"
                        y3="0.010598"
                        z3="0.125774"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-4.648050"
                        y3="3.453827"
                        z3="-1.557480"/>
                  <atom elementType="P"
                        id="a12"
                        x3="6.010707"
                        y3="-0.000496"
                        z3="0.071130"/>
                  <atom elementType="O"
                        id="a13"
                        x3="5.972858"
                        y3="1.662348"
                        z3="3.053653"/>
                  <atom elementType="O"
                        id="a14"
                        x3="3.848588"
                        y3="0.011836"
                        z3="3.486982"/>
                  <atom elementType="O"
                        id="a15"
                        x3="5.957819"
                        y3="2.103298"
                        z3="-3.336853"/>
                  <atom elementType="O"
                        id="a16"
                        x3="8.036160"
                        y3="-0.001195"
                        z3="3.515977"/>
                  <atom elementType="O"
                        id="a17"
                        x3="4.623282"
                        y3="3.442743"
                        z3="-1.457412"/>
                  <atom elementType="O"
                        id="a18"
                        x3="4.305583"
                        y3="-0.000367"
                        z3="-3.046212"/>
                  <atom elementType="O"
                        id="a19"
                        x3="3.207136"
                        y3="2.566225"
                        z3="-3.814284"/>
                  <atom elementType="O"
                        id="a20"
                        x3="7.298671"
                        y3="2.985815"
                        z3="1.218316"/>
                  <atom elementType="O"
                        id="a21"
                        x3="7.294606"
                        y3="3.455804"
                        z3="-1.478026"/>
                  <atom elementType="O"
                        id="a22"
                        x3="4.647142"
                        y3="2.990794"
                        z3="1.200059"/>
                  <atom elementType="O"
                        id="a23"
                        x3="2.880300"
                        y3="1.385336"
                        z3="-1.283331"/>
                  <atom elementType="O"
                        id="a24"
                        x3="9.447140"
                        y3="1.400092"
                        z3="1.667192"/>
                  <atom elementType="O"
                        id="a25"
                        x3="7.546655"
                        y3="-0.010476"
                        z3="-3.082446"/>
                  <atom elementType="O"
                        id="a26"
                        x3="4.803762"
                        y3="0.004788"
                        z3="1.042808"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-0.629029"
                        y3="0.018993"
                        z3="-0.237288"/>
                  <atom elementType="O"
                        id="a28"
                        x3="7.335519"
                        y3="-0.003163"
                        z3="0.925556"/>
                  <atom elementType="O"
                        id="a29"
                        x3="2.512317"
                        y3="1.406392"
                        z3="1.586293"/>
                  <atom elementType="O"
                        id="a30"
                        x3="8.757185"
                        y3="2.525920"
                        z3="-3.785761"/>
                  <atom elementType="O"
                        id="a31"
                        x3="8.985678"
                        y3="1.341040"
                        z3="-1.247378"/>
                  <atom elementType="O"
                        id="a32"
                        x3="8.455324"
                        y3="2.836701"
                        z3="3.884574"/>
                  <atom elementType="O"
                        id="a33"
                        x3="2.503884"
                        y3="-1.380467"
                        z3="1.590842"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.985113"
                        y3="1.269229"
                        z3="-0.827979"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.985426"
                        y3="5.302976"
                        z3="0.221943"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-3.246583"
                        y3="2.563182"
                        z3="-3.913550"/>
                  <atom elementType="O"
                        id="a37"
                        x3="3.486409"
                        y3="2.828702"
                        z3="3.837792"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-3.441529"
                        y3="-2.803290"
                        z3="3.757598"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-2.931069"
                        y3="1.374993"
                        z3="-1.389875"/>
                  <atom elementType="O"
                        id="a40"
                        x3="5.977212"
                        y3="-1.273065"
                        z3="-0.823750"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-7.276065"
                        y3="2.987575"
                        z3="1.159932"/>
                  <atom elementType="O"
                        id="a42"
                        x3="8.977143"
                        y3="-1.364595"
                        z3="-1.242460"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-3.462135"
                        y3="2.846282"
                        z3="3.740741"/>
                  <atom elementType="O"
                        id="a44"
                        x3="-8.988801"
                        y3="1.334014"
                        z3="-1.306371"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-2.493999"
                        y3="1.419247"
                        z3="1.518309"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-5.948778"
                        y3="-5.303339"
                        z3="0.164585"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-9.410402"
                        y3="1.393209"
                        z3="1.618887"/>
                  <atom elementType="O"
                        id="a48"
                        x3="5.962514"
                        y3="-1.653440"
                        z3="3.059131"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.944843"
                        y3="-2.115315"
                        z3="-3.329812"/>
                  <atom elementType="O"
                        id="a50"
                        x3="4.601579"
                        y3="-3.440247"
                        z3="-1.446022"/>
                  <atom elementType="O"
                        id="a51"
                        x3="-5.987339"
                        y3="5.306997"
                        z3="0.133851"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.191334"
                        y3="-2.562555"
                        z3="-3.805967"/>
                  <atom elementType="O"
                        id="a53"
                        x3="7.280071"
                        y3="-2.991132"
                        z3="1.228091"/>
                  <atom elementType="O"
                        id="a54"
                        x3="7.272966"
                        y3="-3.469854"
                        z3="-1.466589"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.628433"
                        y3="-2.979704"
                        z3="1.209849"/>
                  <atom elementType="O"
                        id="a56"
                        x3="8.741684"
                        y3="-2.556506"
                        z3="-3.776792"/>
                  <atom elementType="O"
                        id="a57"
                        x3="8.437970"
                        y3="-2.840652"
                        z3="3.893549"/>
                  <atom elementType="O"
                        id="a58"
                        x3="5.952201"
                        y3="-5.303328"
                        z3="0.239402"/>
                  <atom elementType="O"
                        id="a59"
                        x3="3.468647"
                        y3="-2.801577"
                        z3="3.846986"/>
                  <atom elementType="W"
                        id="a60"
                        x3="-5.985655"
                        y3="3.586492"
                        z3="-0.144867"/>
                  <atom elementType="W"
                        id="a61"
                        x3="-4.045289"
                        y3="1.755912"
                        z3="2.503535"/>
                  <atom elementType="Tc"
                        id="a62"
                        x3="-9.371563"
                        y3="-0.009925"
                        z3="0.141490"/>
                  <atom elementType="W"
                        id="a63"
                        x3="-7.767412"
                        y3="1.850699"
                        z3="-2.598414"/>
                  <atom elementType="W"
                        id="a64"
                        x3="-4.215806"
                        y3="1.869065"
                        z3="-2.630423"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-5.973317"
                        y3="-1.275200"
                        z3="-0.920284"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-7.981353"
                        y3="0.003914"
                        z3="3.450343"/>
                  <atom elementType="W"
                        id="a67"
                        x3="-7.841107"
                        y3="1.755434"
                        z3="2.568478"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-6.000849"
                        y3="2.109357"
                        z3="-3.425761"/>
                  <atom elementType="W"
                        id="a69"
                        x3="-5.959321"
                        y3="-3.584482"
                        z3="-0.124147"/>
                  <atom elementType="W"
                        id="a70"
                        x3="-4.032425"
                        y3="-1.724407"
                        z3="2.513705"/>
                  <atom elementType="W"
                        id="a71"
                        x3="-7.754006"
                        y3="-1.875617"
                        z3="-2.587391"/>
                  <atom elementType="W"
                        id="a72"
                        x3="5.964525"
                        y3="-3.579657"
                        z3="-0.039092"/>
                  <atom elementType="W"
                        id="a73"
                        x3="7.867344"
                        y3="-1.753403"
                        z3="2.649585"/>
                  <atom elementType="W"
                        id="a74"
                        x3="4.178990"
                        y3="-1.874510"
                        z3="-2.536970"/>
                  <atom elementType="W"
                        id="a75"
                        x3="7.736201"
                        y3="-1.870790"
                        z3="-2.517344"/>
                  <atom elementType="W"
                        id="a76"
                        x3="4.073048"
                        y3="-1.719992"
                        z3="2.612872"/>
                  <atom elementType="W"
                        id="a77"
                        x3="-4.202581"
                        y3="-1.868712"
                        z3="-2.619633"/>
                  <atom elementType="W"
                        id="a78"
                        x3="-7.828788"
                        y3="-1.750572"
                        z3="2.578115"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-5.926912"
                        y3="-1.621913"
                        z3="2.972807"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-5.985562"
                        y3="-2.126080"
                        z3="-3.413789"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-7.292964"
                        y3="-3.468338"
                        z3="-1.524570"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-8.778225"
                        y3="-2.564780"
                        z3="-3.827292"/>
                  <atom elementType="O"
                        id="a83"
                        x3="-4.622893"
                        y3="-3.450710"
                        z3="-1.538050"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-7.254223"
                        y3="-2.986837"
                        z3="1.176190"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-8.979067"
                        y3="-1.360071"
                        z3="-1.298492"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-2.446499"
                        y3="0.014420"
                        z3="0.034413"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-2.483438"
                        y3="-1.382398"
                        z3="1.527125"/>
                  <atom elementType="O"
                        id="a88"
                        x3="-9.400622"
                        y3="-1.405968"
                        z3="1.626382"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.389189"
                        y3="-2.830527"
                        z3="3.831740"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-3.845523"
                        y3="0.019041"
                        z3="3.389434"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-7.578801"
                        y3="-0.013442"
                        z3="-3.156383"/>
                  <atom elementType="O"
                        id="a92"
                        x3="-4.622396"
                        y3="-2.973734"
                        z3="1.135533"/>
                  <atom elementType="O"
                        id="a93"
                        x3="-8.796437"
                        y3="2.525189"
                        z3="-3.842504"/>
                  <atom elementType="O"
                        id="a94"
                        x3="-8.409473"
                        y3="2.837715"
                        z3="3.816136"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-5.982345"
                        y3="1.272691"
                        z3="-0.927427"/>
                  <atom elementType="P"
                        id="a96"
                        x3="-5.969704"
                        y3="0.001331"
                        z3="-0.030959"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-5.938773"
                        y3="1.641842"
                        z3="2.964253"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-3.227974"
                        y3="-2.562597"
                        z3="-3.898650"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-4.363064"
                        y3="-0.001728"
                        z3="-3.157896"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-4.644694"
                        y3="2.992418"
                        z3="1.118635"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-2.922257"
                        y3="-1.357688"
                        z3="-1.381765"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-7.271011"
                        y3="-0.000749"
                        z3="0.858949"/>
                  <atom elementType="O"
                        id="a103"
                        x3="2.871694"
                        y3="-1.371314"
                        z3="-1.278998"/>
                  <atom elementType="O"
                        id="a104"
                        x3="9.438347"
                        y3="-1.416557"
                        z3="1.671802"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-7.318337"
                        y3="3.452735"
                        z3="-1.544304"/>
                  <atom elementType="H"
                        id="a106"
                        x3="11.807995"
                        y3="-0.015989"
                        z3="0.718004"/>
                  <atom elementType="H"
                        id="a107"
                        x3="-11.488736"
                        y3="-0.021294"
                        z3="-1.124723"/>
               </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="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="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="a62 a6" order="S"/>
                  <bond atomRefs2="a107 a6" order="S"/>
                  <bond atomRefs2="a8 a7" order="S"/>
                  <bond atomRefs2="a106 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a28 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a42 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a96 a9" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a33 a10" order="S"/>
                  <bond atomRefs2="a103 a10" order="S"/>
                  <bond atomRefs2="a60 a11" order="S"/>
                  <bond atomRefs2="a64 a11" order="S"/>
                  <bond atomRefs2="a26 a12" order="S"/>
                  <bond atomRefs2="a28 a12" order="S"/>
                  <bond atomRefs2="a34 a12" order="S"/>
                  <bond atomRefs2="a40 a12" order="S"/>
                  <bond atomRefs2="a76 a14" order="S"/>
                  <bond atomRefs2="a73 a16" order="S"/>
                  <bond atomRefs2="a74 a18" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a64 a36" order="S"/>
                  <bond atomRefs2="a70 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a86 a39" order="S"/>
                  <bond atomRefs2="a60 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a75 a42" order="S"/>
                  <bond atomRefs2="a61 a43" order="S"/>
                  <bond atomRefs2="a62 a44" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a61 a45" order="S"/>
                  <bond atomRefs2="a86 a45" order="S"/>
                  <bond atomRefs2="a69 a46" order="S"/>
                  <bond atomRefs2="a62 a47" order="S"/>
                  <bond atomRefs2="a67 a47" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a76 a48" order="S"/>
                  <bond atomRefs2="a74 a49" order="S"/>
                  <bond atomRefs2="a75 a49" order="S"/>
                  <bond atomRefs2="a72 a50" order="S"/>
                  <bond atomRefs2="a74 a50" order="S"/>
                  <bond atomRefs2="a60 a51" order="S"/>
                  <bond atomRefs2="a74 a52" order="S"/>
                  <bond atomRefs2="a72 a53" order="S"/>
                  <bond atomRefs2="a73 a53" order="S"/>
                  <bond atomRefs2="a72 a54" order="S"/>
                  <bond atomRefs2="a75 a54" order="S"/>
                  <bond atomRefs2="a72 a55" order="S"/>
                  <bond atomRefs2="a76 a55" order="S"/>
                  <bond atomRefs2="a75 a56" order="S"/>
                  <bond atomRefs2="a73 a57" order="S"/>
                  <bond atomRefs2="a72 a58" order="S"/>
                  <bond atomRefs2="a76 a59" order="S"/>
                  <bond atomRefs2="a100 a60" order="S"/>
                  <bond atomRefs2="a105 a60" order="S"/>
                  <bond atomRefs2="a90 a61" order="S"/>
                  <bond atomRefs2="a97 a61" order="S"/>
                  <bond atomRefs2="a100 a61" order="S"/>
                  <bond atomRefs2="a85 a62" order="S"/>
                  <bond atomRefs2="a88 a62" order="S"/>
                  <bond atomRefs2="a102 a62" order="S"/>
                  <bond atomRefs2="a68 a63" order="S"/>
                  <bond atomRefs2="a91 a63" order="S"/>
                  <bond atomRefs2="a93 a63" order="S"/>
                  <bond atomRefs2="a105 a63" order="S"/>
                  <bond atomRefs2="a68 a64" order="S"/>
                  <bond atomRefs2="a99 a64" order="S"/>
                  <bond atomRefs2="a96 a65" order="S"/>
                  <bond atomRefs2="a67 a66" order="S"/>
                  <bond atomRefs2="a78 a66" order="S"/>
                  <bond atomRefs2="a94 a67" order="S"/>
                  <bond atomRefs2="a97 a67" order="S"/>
                  <bond atomRefs2="a81 a69" order="S"/>
                  <bond atomRefs2="a83 a69" order="S"/>
                  <bond atomRefs2="a84 a69" order="S"/>
                  <bond atomRefs2="a92 a69" order="S"/>
                  <bond atomRefs2="a79 a70" order="S"/>
                  <bond atomRefs2="a87 a70" order="S"/>
                  <bond atomRefs2="a90 a70" order="S"/>
                  <bond atomRefs2="a92 a70" order="S"/>
                  <bond atomRefs2="a80 a71" order="S"/>
                  <bond atomRefs2="a81 a71" order="S"/>
                  <bond atomRefs2="a82 a71" order="S"/>
                  <bond atomRefs2="a85 a71" order="S"/>
                  <bond atomRefs2="a91 a71" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a80 a77" order="S"/>
                  <bond atomRefs2="a83 a77" order="S"/>
                  <bond atomRefs2="a98 a77" order="S"/>
                  <bond atomRefs2="a99 a77" order="S"/>
                  <bond atomRefs2="a101 a77" order="S"/>
                  <bond atomRefs2="a79 a78" order="S"/>
                  <bond atomRefs2="a84 a78" order="S"/>
                  <bond atomRefs2="a88 a78" order="S"/>
                  <bond atomRefs2="a89 a78" order="S"/>
                  <bond atomRefs2="a87 a86" order="S"/>
                  <bond atomRefs2="a101 a86" order="S"/>
                  <bond atomRefs2="a96 a95" order="S"/>
                  <bond atomRefs2="a102 a96" order="S"/>
               </bondArray>
               <formula concise="H2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5398.580018</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2O4P.2H2O.69O.4Tc.20W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2;;;;;;;;;;;;;;;;;;;;/p-2/rHO40PTc2W10.HO39PTc2W10/c1-41(2,3)16-43(5)21-48(10)27-44(6)17-42(4)18-45(7,25-44)28-49(11,22-43,35-48)39-53(15,32-45)34-47(9,20-42)26-46(8,19-42)29-50(12,23-43,36-51(13,24-43,30-47)40-53)38-52(14,31-44,33-46)37-48;1-40(2,3)15-42(4)20-47(9)26-43(5)16-41-17-44(6,24-43)27-48(10,21-42,34-47)38-52(14,31-44)33-46(8,19-41)25-45(7,18-41)28-49(11,22-42,35-50(12,23-42,29-46)39-52)37-51(13,30-43,32-45)36-47/h5H;4H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9,65,95,102,96;26,28,34,40,12;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;36;37;38;39;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;66;68;79;80;81;82;83;84;85;87;88;89;90;91;92;93;94;97;98;99;100;101;103;104;105;10;86;8;62;1;2;3;4;5;60;61;63;64;67;69;70;71;72;73;74;75;76;77;78/E:2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4-1,5.4;1.1,2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:107nWWWWWOOTcO1TcOP4OOOOOOO1OOOOOOO1O1OOO1OO1OO1O1O1O1O1OO1OOO1OOO1OOOOO1O1OOOO1O1O1O1WWTcWWO1OWOWWWWWWWWWWOOOO1OOOTcOOO1OOOO1O1O1P4OO1OOOOOOOHH/rB:;;;;;;s7;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s12;;s8s12;s5s10;s4;s4s8;s2;s10;s12;s1;;s5;;;s12;;s8;;;;;;;;;;;;;;;;;;s11s41s51;s43s45;s6s44s47;s44;s11s36s39;;;s41s47s66;s63s64;s46;s38;;s50s53s54s55s58;s16s48s53s57;s18s49s50s52;s25s42s49s54s56;s14s33s48s55s59;;s66;s70s78;s71s77;s69s71;s71;s69s77;s69s78;s62s71;s27s39s45;s70s86;s62s78;s78;s61s70;s63s71;s69s70;s63;s67;;s9s65s95;s61s67;s77;s64s77;s60s61;s77s86;s62s96;s10s74;s8s73;s60s63;s7;s6;/rC:5.987,3.5783,-.0508;7.8783,1.749,2.644;4.1906,1.8761,-2.5432;7.7477,1.8506,-2.5238;4.0838,1.7393,2.6071;-11.3402,-.0168,-.157;11.3704,-.0168,-.157;9.3998,-.0105,.1953;-4.7018,.0083,.8718;2.4848,.0106,.1258;-4.648,3.4538,-1.5575;6.0107,-.0005,.0711;5.9729,1.6623,3.0537;3.8486,.0118,3.487;5.9578,2.1033,-3.3369;8.0362,-.0012,3.516;4.6233,3.4427,-1.4574;4.3056,-.0004,-3.0462;3.2071,2.5662,-3.8143;7.2987,2.9858,1.2183;7.2946,3.4558,-1.478;4.6471,2.9908,1.2001;2.8803,1.3853,-1.2833;9.4471,1.4001,1.6672;7.5467,-.0105,-3.0824;4.8038,.0048,1.0428;-.629,.019,-.2373;7.3355,-.0032,.9256;2.5123,1.4064,1.5863;8.7572,2.5259,-3.7858;8.9857,1.341,-1.2474;8.4553,2.8367,3.8846;2.5039,-1.3805,1.5908;5.9851,1.2692,-.828;5.9854,5.303,.2219;-3.2466,2.5632,-3.9135;3.4864,2.8287,3.8378;-3.4415,-2.8033,3.7576;-2.9311,1.375,-1.3899;5.9772,-1.2731,-.8237;-7.2761,2.9876,1.1599;8.9771,-1.3646,-1.2425;-3.4621,2.8463,3.7407;-8.9888,1.334,-1.3064;-2.494,1.4192,1.5183;-5.9488,-5.3033,.1646;-9.4104,1.3932,1.6189;5.9625,-1.6534,3.0591;5.9448,-2.1153,-3.3298;4.6016,-3.4402,-1.446;-5.9873,5.307,.1339;3.1913,-2.5626,-3.806;7.2801,-2.9911,1.2281;7.273,-3.4699,-1.4666;4.6284,-2.9797,1.2098;8.7417,-2.5565,-3.7768;8.438,-2.8407,3.8935;5.9522,-5.3033,.2394;3.4686,-2.8016,3.847;-5.9857,3.5865,-.1449;-4.0453,1.7559,2.5035;-9.3716,-.0099,.1415;-7.7674,1.8507,-2.5984;-4.2158,1.8691,-2.6304;-5.9733,-1.2752,-.9203;-7.9814,.0039,3.4503;-7.8411,1.7554,2.5685;-6.0008,2.1094,-3.4258;-5.9593,-3.5845,-.1241;-4.0324,-1.7244,2.5137;-7.754,-1.8756,-2.5874;5.9645,-3.5797,-.0391;7.8673,-1.7534,2.6496;4.179,-1.8745,-2.537;7.7362,-1.8708,-2.5173;4.073,-1.72,2.6129;-4.2026,-1.8687,-2.6196;-7.8288,-1.7506,2.5781;-5.9269,-1.6219,2.9728;-5.9856,-2.1261,-3.4138;-7.293,-3.4683,-1.5246;-8.7782,-2.5648,-3.8273;-4.6229,-3.4507,-1.538;-7.2542,-2.9868,1.1762;-8.9791,-1.3601,-1.2985;-2.4465,.0144,.0344;-2.4834,-1.3824,1.5271;-9.4006,-1.406,1.6264;-8.3892,-2.8305,3.8317;-3.8455,.019,3.3894;-7.5788,-.0134,-3.1564;-4.6224,-2.9737,1.1355;-8.7964,2.5252,-3.8425;-8.4095,2.8377,3.8161;-5.9823,1.2727,-.9274;-5.9697,.0013,-.031;-5.9388,1.6418,2.9643;-3.228,-2.5626,-3.8986;-4.3631,-.0017,-3.1579;-4.6447,2.9924,1.1186;-2.9223,-1.3577,-1.3818;-7.271,-.0007,.8589;2.8717,-1.3713,-1.279;9.4383,-1.4166,1.6718;-7.3183,3.4527,-1.5443;11.808,-.016,.718;-11.4887,-.0213,-1.1247;/R:/0/N:9,65,95,27,6,36,98,43,38,93,82,94,89,51,46,102,39,101,45,87,44,85,47,88,99,90,68,80,97,79,11,83,100,92,91,66,105,41,81,84,96,86,62,64,77,61,70,63,71,67,78,60,69;26,34,40,7,19,52,37,59,30,56,32,57,35,58,28,23,103,29,33,31,42,24,104,18,14,15,49,13,48,17,50,22,55,25,16,21,20,54,53,12,10,8,3,74,5,76,4,75,2,73,1,72/E:(1,2,3)(6,7,8,9)(10,11,12,13)(14,15)(17,18,19,20)(21,22,23,24)(25,26)(27,28,29,30)(31,32,33,34)(35,36)(37,38,39,40)(44,45,46,47)(48,49,50,51)(52,53);(1,2,3)(5,6,7,8)(9,10,11,12)(13,14)(16,17,18,19)(20,21,22,23)(24,25)(26,27,28,29)(30,31,32,33)(34,35)(36,37,38,39)(43,44,45,46)(47,48,49,50)(51,52)/CRV:1.1,2.1,3.1,4.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,41.4,42.5,43.6;1.1,2.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,40.4,41.4,42.6</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">3345.49225219</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">9005.92329947</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Tc" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Technetium</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">3d</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="P" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Phosphorus</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="H" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="249" startLine="248"/>
                  <list cmlx:templateRef="spin" endLine="253" startLine="251">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="262" startLine="255">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task SinglePoint</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 5.986921389026632 3.578317670558842 -0.05082047494317266 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 7.878239683213952 1.749008244683522 2.643975607930868 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 4.190557296694682 1.876056634670972 -2.543198605081213 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 7.747674051617013 1.850616816258602 -2.523756665288203 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 4.083823407842922 1.739324549097712 2.607117516373867 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.34010283500283 -0.01683279271862848 -0.1570340938577228 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 11.37029716057678 -0.01683279271862848 -0.1570340938577228 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc 9.399754963673912 -0.01050041407530777 0.1953430992385563 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.701815501113378 0.008318633630602257 0.8718370180759472 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc 2.484825324348342 0.01059807792651224 0.1257729334854876 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.648025121281618 3.453808295599432 -1.557471623129423 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P 6.010675053028362 -0.0004963425815178724 0.07112978992395647 adf.R=1.850</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.972826530619412 1.662339148044532 3.053637240346678 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.848567471003022 0.01183578228596183 3.486964116409506 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.957787851070302 2.103287304103712 -3.336834951218873 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.036117546070113 -0.001195191573128085 3.515958563689576 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.623257189882692 3.442725080962601 -1.457404209109973 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.305560019569262 -0.0003665576424083383 -3.046195454622843 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.207118657638092 2.566211866388202 -3.814263462329793 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 7.298632570396912 2.985798768098872 1.218309451740407 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 7.294567358964573 3.455786215603402 -1.478018369213753 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.647117589822452 2.990778223703822 1.200052745777146 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.880284521442052 1.385328909789692 -1.283324129759113 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 9.447089922547192 1.400084948720462 1.667182970641937 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 7.546615121073152 -0.01047594312963795 -3.082429585108113 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.803736416179262 0.004787991029291838 1.042802017665757 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.6290253620895978 0.01899322242418222 -0.2372870731382122 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 7.335479851746753 -0.003162565120698346 0.9255514372796974 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.512303854406822 1.406384518524082 1.586284827630196 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.757138628528182 2.525907031700662 -3.785741157838743 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.985630428918821 1.341032660621932 -1.247371466661713 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.455279510030191 2.836686321628352 3.884553644283097 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.503870695453992 -1.380459572003448 1.590833344545066 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.985081250714822 1.269222101651152 -0.8279745170274033 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.985394264325063 5.302948075980721 0.2219415554735971 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.246565555251007 2.563168514090002 -3.913529078210813 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.486390686815672 2.828687188475022 3.837771588489296 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.441511052648158 -2.803275607494768 3.757578009388707 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.931053262673688 1.374986198451952 -1.389868077934093 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.977180666124863 -1.273058576356348 -0.8237455276871426 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.276027010352538 2.987559415646352 1.159926081594026 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.977095810126333 -1.364588176481998 -1.242453109722473 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.462117026968198 2.846266891656532 3.740720980268428 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.988754034290908 1.334006523518632 -1.306363885912353 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.493985886527588 1.419239866667632 1.518300731030786 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.948747113996527 -5.303310607236608 0.1645836481356362 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.410352751402808 1.393201597762632 1.618878816820517 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.962482470773792 -1.653431470833908 3.059115289326757 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.944812125264402 -2.115303743529988 -3.329794041635383 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.601554386341332 -3.440228406264248 -1.446014599578583 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.987307160706838 5.306968933488472 0.1338507221108376 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.191316754991832 -2.562541946695878 -3.805947088985043 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 7.280032304689312 -2.991116688772268 1.228084727998427 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 7.272927621581943 -3.469835985294338 -1.466581761328793 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.628408824428322 -2.979688251585838 1.209842945581476 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.741637983411511 -2.556492223463958 -3.776772253070573 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 8.437925358130412 -2.840637472153578 3.893528527688277 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.952169437742752 -5.303300027582369 0.2394005676433171 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.468629145133272 -2.801562447873658 3.846965866930416 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.985623820432298 3.586472776049092 -0.1448663457792829 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -4.045267657799627 1.755903161987482 2.503521387294567 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -9.371513631464797 -0.009925312755558302 0.1414895385532375 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.767371123541908 1.850689025011691 -2.598400333397703 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -4.215783342127878 1.869055522249442 -2.630409239759823 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.973285619735398 -1.275193404507298 -0.920279119600143 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.981310526640968 0.00391360173782207 3.450325221815078 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.841066112559918 1.755424587336892 2.568464651704968 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.000817357779438 2.109346349636222 -3.425742601189623 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.959289805260557 -3.584463293172878 -0.1241459574909527 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -4.032403559015828 -1.724398248771038 2.513691882606237 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.753965475052889 -1.875607582533838 -2.587377201411423 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 5.964493835732102 -3.579637996440148 -0.03909155894051253 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 7.867302546780542 -1.753393373383858 2.649570851345757 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 4.178968283602273 -1.874500390567448 -2.536956256681133 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 7.736159848750113 -1.870779859959588 -2.517330880615673 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 4.073026437441622 -1.719983083173978 2.612857950382526 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -4.202559204249397 -1.868701669365988 -2.619618721664233 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.828746848816008 -1.750562821440178 2.578101853153367 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.926881007476497 -1.621904851187038 2.972791792998777 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.985530421761968 -2.126069047483038 -3.413770633746083 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.292925202486488 -3.468319970038988 -1.524561894675803 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.778178610589269 -2.564766644927028 -3.827271895087113 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.622869010829808 -3.450692084894208 -1.538041439429013 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.254184634225908 -2.986821609387838 1.176183945059567 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.979019656186537 -1.360063342744068 -1.298485233496463 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -2.446486096171358 0.01442023934487224 0.03441232964276608 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.483425274137637 -1.382391113897798 1.527117199395708 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.400572030550927 -1.405961012198058 1.626373270524327 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.389144547593848 -2.830512249676458 3.831719664801927 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.845503103668397 0.01904111147533172 3.389415904322187 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.578761278264787 -0.01344177406873825 -3.156366552636303 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.622371722552737 -2.973718639765448 1.135526748978696 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.796390298745438 2.525175240165372 -3.842484006031063 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.409428272401557 2.837700352135641 3.816116307369256 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.982313153693438 1.272684024054762 -0.927422364817593 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P -5.969672644622428 0.001330815249251494 -0.03095890084411224 adf.R=1.850</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.938741257449557 1.641833653503262 2.964237160156987 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.227957452079928 -2.562583396560978 -3.898629476589763 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.363040888554348 -0.001727526221408482 -3.157879743905163 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.644669902808898 2.992402704437302 1.118629592593667 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.922242052363828 -1.357680795161968 -1.381758119860403 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.270973037362818 -0.0007486259093285597 0.8589446302657073 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.871678851138942 -1.371306514324768 -1.278991478323143 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 9.438297259221063 -1.416549635490878 1.671793270249637 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.318297997474838 3.452716666359212 -1.544295798221153 adf.R=1.517</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H 11.80793243971065 -0.0159886409226182 0.7180006529178264 adf.R=1.350</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H -11.48867534552291 -0.02129374006324802 -1.124717079205692 adf.R=1.350</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -14</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 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 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 107 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 106 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 28 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 42 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 96 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 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">         60 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 41 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 51 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         60 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 97 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         61 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 6 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 44 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 85 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 88 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         62 102 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 44 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 93 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         63 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 36 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 39 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         64 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         65 96 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 41 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 94 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         67 97 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 46 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 83 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 84 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         69 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 38 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 87 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         70 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 80 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 82 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 85 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         71 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 50 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 55 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 58 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 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 49 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 50 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 52 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 42 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 49 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 55 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 80 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 83 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 98 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         77 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 84 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 88 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         78 89 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 39 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 87 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         95 96 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         96 102 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Engine ADF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Basis</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Type TZP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Core Small</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    SpinPolarization 8</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Hybrid PBE0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Unrestricted Yes</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Solvation</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Surf Delley</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Solv name=Water cav0=0.0 cav1=0.0067639</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Charged method=CONJ</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        C-Mat POT</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        SCF VAR ALL </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        CSMRSP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    NumericalQuality Good</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
                     <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:charge">-14</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:spinPolarization">8</scalar>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="5.986953"
                        y3="3.578337"
                        z3="-0.050821"/>
                  <atom elementType="W"
                        id="a2"
                        x3="7.878281"
                        y3="1.749017"
                        z3="2.643990"/>
                  <atom elementType="W"
                        id="a3"
                        x3="4.190579"
                        y3="1.876067"
                        z3="-2.543212"/>
                  <atom elementType="W"
                        id="a4"
                        x3="7.747715"
                        y3="1.850627"
                        z3="-2.523770"/>
                  <atom elementType="W"
                        id="a5"
                        x3="4.083845"
                        y3="1.739334"
                        z3="2.607131"/>
                  <atom elementType="O"
                        id="a6"
                        x3="-11.340163"
                        y3="-0.016833"
                        z3="-0.157035"/>
                  <atom elementType="O"
                        id="a7"
                        x3="11.370357"
                        y3="-0.016833"
                        z3="-0.157035"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="9.399805"
                        y3="-0.010500"
                        z3="0.195344"/>
                  <atom elementType="O"
                        id="a9"
                        x3="-4.701840"
                        y3="0.008319"
                        z3="0.871842"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="2.484838"
                        y3="0.010598"
                        z3="0.125774"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-4.648050"
                        y3="3.453827"
                        z3="-1.557480"/>
                  <atom elementType="P"
                        id="a12"
                        x3="6.010707"
                        y3="-0.000496"
                        z3="0.071130"/>
                  <atom elementType="O"
                        id="a13"
                        x3="5.972858"
                        y3="1.662348"
                        z3="3.053653"/>
                  <atom elementType="O"
                        id="a14"
                        x3="3.848588"
                        y3="0.011836"
                        z3="3.486982"/>
                  <atom elementType="O"
                        id="a15"
                        x3="5.957819"
                        y3="2.103298"
                        z3="-3.336853"/>
                  <atom elementType="O"
                        id="a16"
                        x3="8.036160"
                        y3="-0.001195"
                        z3="3.515977"/>
                  <atom elementType="O"
                        id="a17"
                        x3="4.623282"
                        y3="3.442743"
                        z3="-1.457412"/>
                  <atom elementType="O"
                        id="a18"
                        x3="4.305583"
                        y3="-0.000367"
                        z3="-3.046212"/>
                  <atom elementType="O"
                        id="a19"
                        x3="3.207136"
                        y3="2.566225"
                        z3="-3.814284"/>
                  <atom elementType="O"
                        id="a20"
                        x3="7.298671"
                        y3="2.985815"
                        z3="1.218316"/>
                  <atom elementType="O"
                        id="a21"
                        x3="7.294606"
                        y3="3.455804"
                        z3="-1.478026"/>
                  <atom elementType="O"
                        id="a22"
                        x3="4.647142"
                        y3="2.990794"
                        z3="1.200059"/>
                  <atom elementType="O"
                        id="a23"
                        x3="2.880300"
                        y3="1.385336"
                        z3="-1.283331"/>
                  <atom elementType="O"
                        id="a24"
                        x3="9.447140"
                        y3="1.400092"
                        z3="1.667192"/>
                  <atom elementType="O"
                        id="a25"
                        x3="7.546655"
                        y3="-0.010476"
                        z3="-3.082446"/>
                  <atom elementType="O"
                        id="a26"
                        x3="4.803762"
                        y3="0.004788"
                        z3="1.042808"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-0.629029"
                        y3="0.018993"
                        z3="-0.237288"/>
                  <atom elementType="O"
                        id="a28"
                        x3="7.335519"
                        y3="-0.003163"
                        z3="0.925556"/>
                  <atom elementType="O"
                        id="a29"
                        x3="2.512317"
                        y3="1.406392"
                        z3="1.586293"/>
                  <atom elementType="O"
                        id="a30"
                        x3="8.757185"
                        y3="2.525920"
                        z3="-3.785761"/>
                  <atom elementType="O"
                        id="a31"
                        x3="8.985678"
                        y3="1.341040"
                        z3="-1.247378"/>
                  <atom elementType="O"
                        id="a32"
                        x3="8.455324"
                        y3="2.836701"
                        z3="3.884574"/>
                  <atom elementType="O"
                        id="a33"
                        x3="2.503884"
                        y3="-1.380467"
                        z3="1.590842"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.985113"
                        y3="1.269229"
                        z3="-0.827979"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.985426"
                        y3="5.302976"
                        z3="0.221943"/>
                  <atom elementType="O"
                        id="a36"
                        x3="-3.246583"
                        y3="2.563182"
                        z3="-3.913550"/>
                  <atom elementType="O"
                        id="a37"
                        x3="3.486409"
                        y3="2.828702"
                        z3="3.837792"/>
                  <atom elementType="O"
                        id="a38"
                        x3="-3.441529"
                        y3="-2.803290"
                        z3="3.757598"/>
                  <atom elementType="O"
                        id="a39"
                        x3="-2.931069"
                        y3="1.374993"
                        z3="-1.389875"/>
                  <atom elementType="O"
                        id="a40"
                        x3="5.977212"
                        y3="-1.273065"
                        z3="-0.823750"/>
                  <atom elementType="O"
                        id="a41"
                        x3="-7.276065"
                        y3="2.987575"
                        z3="1.159932"/>
                  <atom elementType="O"
                        id="a42"
                        x3="8.977143"
                        y3="-1.364595"
                        z3="-1.242460"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-3.462135"
                        y3="2.846282"
                        z3="3.740741"/>
                  <atom elementType="O"
                        id="a44"
                        x3="-8.988801"
                        y3="1.334014"
                        z3="-1.306371"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-2.493999"
                        y3="1.419247"
                        z3="1.518309"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-5.948778"
                        y3="-5.303339"
                        z3="0.164585"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-9.410402"
                        y3="1.393209"
                        z3="1.618887"/>
                  <atom elementType="O"
                        id="a48"
                        x3="5.962514"
                        y3="-1.653440"
                        z3="3.059131"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.944843"
                        y3="-2.115315"
                        z3="-3.329812"/>
                  <atom elementType="O"
                        id="a50"
                        x3="4.601579"
                        y3="-3.440247"
                        z3="-1.446022"/>
                  <atom elementType="O"
                        id="a51"
                        x3="-5.987339"
                        y3="5.306997"
                        z3="0.133851"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.191334"
                        y3="-2.562555"
                        z3="-3.805967"/>
                  <atom elementType="O"
                        id="a53"
                        x3="7.280071"
                        y3="-2.991132"
                        z3="1.228091"/>
                  <atom elementType="O"
                        id="a54"
                        x3="7.272966"
                        y3="-3.469854"
                        z3="-1.466589"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.628433"
                        y3="-2.979704"
                        z3="1.209849"/>
                  <atom elementType="O"
                        id="a56"
                        x3="8.741684"
                        y3="-2.556506"
                        z3="-3.776792"/>
                  <atom elementType="O"
                        id="a57"
                        x3="8.437970"
                        y3="-2.840652"
                        z3="3.893549"/>
                  <atom elementType="O"
                        id="a58"
                        x3="5.952201"
                        y3="-5.303328"
                        z3="0.239402"/>
                  <atom elementType="O"
                        id="a59"
                        x3="3.468647"
                        y3="-2.801577"
                        z3="3.846986"/>
                  <atom elementType="W"
                        id="a60"
                        x3="-5.985655"
                        y3="3.586492"
                        z3="-0.144867"/>
                  <atom elementType="W"
                        id="a61"
                        x3="-4.045289"
                        y3="1.755912"
                        z3="2.503535"/>
                  <atom elementType="Tc"
                        id="a62"
                        x3="-9.371563"
                        y3="-0.009925"
                        z3="0.141490"/>
                  <atom elementType="W"
                        id="a63"
                        x3="-7.767412"
                        y3="1.850699"
                        z3="-2.598414"/>
                  <atom elementType="W"
                        id="a64"
                        x3="-4.215806"
                        y3="1.869065"
                        z3="-2.630423"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-5.973317"
                        y3="-1.275200"
                        z3="-0.920284"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-7.981353"
                        y3="0.003914"
                        z3="3.450343"/>
                  <atom elementType="W"
                        id="a67"
                        x3="-7.841107"
                        y3="1.755434"
                        z3="2.568478"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-6.000849"
                        y3="2.109357"
                        z3="-3.425761"/>
                  <atom elementType="W"
                        id="a69"
                        x3="-5.959321"
                        y3="-3.584482"
                        z3="-0.124147"/>
                  <atom elementType="W"
                        id="a70"
                        x3="-4.032425"
                        y3="-1.724407"
                        z3="2.513705"/>
                  <atom elementType="W"
                        id="a71"
                        x3="-7.754006"
                        y3="-1.875617"
                        z3="-2.587391"/>
                  <atom elementType="W"
                        id="a72"
                        x3="5.964525"
                        y3="-3.579657"
                        z3="-0.039092"/>
                  <atom elementType="W"
                        id="a73"
                        x3="7.867344"
                        y3="-1.753403"
                        z3="2.649585"/>
                  <atom elementType="W"
                        id="a74"
                        x3="4.178990"
                        y3="-1.874510"
                        z3="-2.536970"/>
                  <atom elementType="W"
                        id="a75"
                        x3="7.736201"
                        y3="-1.870790"
                        z3="-2.517344"/>
                  <atom elementType="W"
                        id="a76"
                        x3="4.073048"
                        y3="-1.719992"
                        z3="2.612872"/>
                  <atom elementType="W"
                        id="a77"
                        x3="-4.202581"
                        y3="-1.868712"
                        z3="-2.619633"/>
                  <atom elementType="W"
                        id="a78"
                        x3="-7.828788"
                        y3="-1.750572"
                        z3="2.578115"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-5.926912"
                        y3="-1.621913"
                        z3="2.972807"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-5.985562"
                        y3="-2.126080"
                        z3="-3.413789"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-7.292964"
                        y3="-3.468338"
                        z3="-1.524570"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-8.778225"
                        y3="-2.564780"
                        z3="-3.827292"/>
                  <atom elementType="O"
                        id="a83"
                        x3="-4.622893"
                        y3="-3.450710"
                        z3="-1.538050"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-7.254223"
                        y3="-2.986837"
                        z3="1.176190"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-8.979067"
                        y3="-1.360071"
                        z3="-1.298492"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-2.446499"
                        y3="0.014420"
                        z3="0.034413"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-2.483438"
                        y3="-1.382398"
                        z3="1.527125"/>
                  <atom elementType="O"
                        id="a88"
                        x3="-9.400622"
                        y3="-1.405968"
                        z3="1.626382"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.389189"
                        y3="-2.830527"
                        z3="3.831740"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-3.845523"
                        y3="0.019041"
                        z3="3.389434"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-7.578801"
                        y3="-0.013442"
                        z3="-3.156383"/>
                  <atom elementType="O"
                        id="a92"
                        x3="-4.622396"
                        y3="-2.973734"
                        z3="1.135533"/>
                  <atom elementType="O"
                        id="a93"
                        x3="-8.796437"
                        y3="2.525189"
                        z3="-3.842504"/>
                  <atom elementType="O"
                        id="a94"
                        x3="-8.409473"
                        y3="2.837715"
                        z3="3.816136"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-5.982345"
                        y3="1.272691"
                        z3="-0.927427"/>
                  <atom elementType="P"
                        id="a96"
                        x3="-5.969704"
                        y3="0.001331"
                        z3="-0.030959"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-5.938773"
                        y3="1.641842"
                        z3="2.964253"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-3.227974"
                        y3="-2.562597"
                        z3="-3.898650"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-4.363064"
                        y3="-0.001728"
                        z3="-3.157896"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-4.644694"
                        y3="2.992418"
                        z3="1.118635"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-2.922257"
                        y3="-1.357688"
                        z3="-1.381765"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-7.271011"
                        y3="-0.000749"
                        z3="0.858949"/>
                  <atom elementType="O"
                        id="a103"
                        x3="2.871694"
                        y3="-1.371314"
                        z3="-1.278998"/>
                  <atom elementType="O"
                        id="a104"
                        x3="9.438347"
                        y3="-1.416557"
                        z3="1.671802"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-7.318337"
                        y3="3.452735"
                        z3="-1.544304"/>
                  <atom elementType="H"
                        id="a106"
                        x3="11.807995"
                        y3="-0.015989"
                        z3="0.718004"/>
                  <atom elementType="H"
                        id="a107"
                        x3="-11.488736"
                        y3="-0.021294"
                        z3="-1.124723"/>
               </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="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="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="a62 a6" order="S"/>
                  <bond atomRefs2="a107 a6" order="S"/>
                  <bond atomRefs2="a8 a7" order="S"/>
                  <bond atomRefs2="a106 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a28 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a42 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a96 a9" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a33 a10" order="S"/>
                  <bond atomRefs2="a103 a10" order="S"/>
                  <bond atomRefs2="a60 a11" order="S"/>
                  <bond atomRefs2="a64 a11" order="S"/>
                  <bond atomRefs2="a26 a12" order="S"/>
                  <bond atomRefs2="a28 a12" order="S"/>
                  <bond atomRefs2="a34 a12" order="S"/>
                  <bond atomRefs2="a40 a12" order="S"/>
                  <bond atomRefs2="a76 a14" order="S"/>
                  <bond atomRefs2="a73 a16" order="S"/>
                  <bond atomRefs2="a74 a18" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a64 a36" order="S"/>
                  <bond atomRefs2="a70 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a86 a39" order="S"/>
                  <bond atomRefs2="a60 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a75 a42" order="S"/>
                  <bond atomRefs2="a61 a43" order="S"/>
                  <bond atomRefs2="a62 a44" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a61 a45" order="S"/>
                  <bond atomRefs2="a86 a45" order="S"/>
                  <bond atomRefs2="a69 a46" order="S"/>
                  <bond atomRefs2="a62 a47" order="S"/>
                  <bond atomRefs2="a67 a47" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a76 a48" order="S"/>
                  <bond atomRefs2="a74 a49" order="S"/>
                  <bond atomRefs2="a75 a49" order="S"/>
                  <bond atomRefs2="a72 a50" order="S"/>
                  <bond atomRefs2="a74 a50" order="S"/>
                  <bond atomRefs2="a60 a51" order="S"/>
                  <bond atomRefs2="a74 a52" order="S"/>
                  <bond atomRefs2="a72 a53" order="S"/>
                  <bond atomRefs2="a73 a53" order="S"/>
                  <bond atomRefs2="a72 a54" order="S"/>
                  <bond atomRefs2="a75 a54" order="S"/>
                  <bond atomRefs2="a72 a55" order="S"/>
                  <bond atomRefs2="a76 a55" order="S"/>
                  <bond atomRefs2="a75 a56" order="S"/>
                  <bond atomRefs2="a73 a57" order="S"/>
                  <bond atomRefs2="a72 a58" order="S"/>
                  <bond atomRefs2="a76 a59" order="S"/>
                  <bond atomRefs2="a100 a60" order="S"/>
                  <bond atomRefs2="a105 a60" order="S"/>
                  <bond atomRefs2="a90 a61" order="S"/>
                  <bond atomRefs2="a97 a61" order="S"/>
                  <bond atomRefs2="a100 a61" order="S"/>
                  <bond atomRefs2="a85 a62" order="S"/>
                  <bond atomRefs2="a88 a62" order="S"/>
                  <bond atomRefs2="a102 a62" order="S"/>
                  <bond atomRefs2="a68 a63" order="S"/>
                  <bond atomRefs2="a91 a63" order="S"/>
                  <bond atomRefs2="a93 a63" order="S"/>
                  <bond atomRefs2="a105 a63" order="S"/>
                  <bond atomRefs2="a68 a64" order="S"/>
                  <bond atomRefs2="a99 a64" order="S"/>
                  <bond atomRefs2="a96 a65" order="S"/>
                  <bond atomRefs2="a67 a66" order="S"/>
                  <bond atomRefs2="a78 a66" order="S"/>
                  <bond atomRefs2="a94 a67" order="S"/>
                  <bond atomRefs2="a97 a67" order="S"/>
                  <bond atomRefs2="a81 a69" order="S"/>
                  <bond atomRefs2="a83 a69" order="S"/>
                  <bond atomRefs2="a84 a69" order="S"/>
                  <bond atomRefs2="a92 a69" order="S"/>
                  <bond atomRefs2="a79 a70" order="S"/>
                  <bond atomRefs2="a87 a70" order="S"/>
                  <bond atomRefs2="a90 a70" order="S"/>
                  <bond atomRefs2="a92 a70" order="S"/>
                  <bond atomRefs2="a80 a71" order="S"/>
                  <bond atomRefs2="a81 a71" order="S"/>
                  <bond atomRefs2="a82 a71" order="S"/>
                  <bond atomRefs2="a85 a71" order="S"/>
                  <bond atomRefs2="a91 a71" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a80 a77" order="S"/>
                  <bond atomRefs2="a83 a77" order="S"/>
                  <bond atomRefs2="a98 a77" order="S"/>
                  <bond atomRefs2="a99 a77" order="S"/>
                  <bond atomRefs2="a101 a77" order="S"/>
                  <bond atomRefs2="a79 a78" order="S"/>
                  <bond atomRefs2="a84 a78" order="S"/>
                  <bond atomRefs2="a88 a78" order="S"/>
                  <bond atomRefs2="a89 a78" order="S"/>
                  <bond atomRefs2="a87 a86" order="S"/>
                  <bond atomRefs2="a101 a86" order="S"/>
                  <bond atomRefs2="a96 a95" order="S"/>
                  <bond atomRefs2="a102 a96" order="S"/>
               </bondArray>
               <formula concise="H2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5398.580018</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2O4P.2H2O.69O.4Tc.20W/c2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+2;;;;;;;;;;;;;;;;;;;;/p-2/rHO40PTc2W10.HO39PTc2W10/c1-41(2,3)16-43(5)21-48(10)27-44(6)17-42(4)18-45(7,25-44)28-49(11,22-43,35-48)39-53(15,32-45)34-47(9,20-42)26-46(8,19-42)29-50(12,23-43,36-51(13,24-43,30-47)40-53)38-52(14,31-44,33-46)37-48;1-40(2,3)15-42(4)20-47(9)26-43(5)16-41-17-44(6,24-43)27-48(10,21-42,34-47)38-52(14,31-44)33-46(8,19-41)25-45(7,18-41)28-49(11,22-42,35-50(12,23-42,29-46)39-52)37-51(13,30-43,32-45)36-47/h5H;4H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:9,65,95,102,96;26,28,34,40,12;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;36;37;38;39;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;66;68;79;80;81;82;83;84;85;87;88;89;90;91;92;93;94;97;98;99;100;101;103;104;105;10;86;8;62;1;2;3;4;5;60;61;63;64;67;69;70;71;72;73;74;75;76;77;78/E:2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4-1,5.4;1.1,2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:107nWWWWWOOTcO1TcOP4OOOOOOO1OOOOOOO1O1OOO1OO1OO1O1O1O1O1OO1OOO1OOO1OOOOO1O1OOOO1O1O1O1WWTcWWO1OWOWWWWWWWWWWOOOO1OOOTcOOO1OOOO1O1O1P4OO1OOOOOOOHH/rB:;;;;;;s7;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s12;;s8s12;s5s10;s4;s4s8;s2;s10;s12;s1;;s5;;;s12;;s8;;;;;;;;;;;;;;;;;;s11s41s51;s43s45;s6s44s47;s44;s11s36s39;;;s41s47s66;s63s64;s46;s38;;s50s53s54s55s58;s16s48s53s57;s18s49s50s52;s25s42s49s54s56;s14s33s48s55s59;;s66;s70s78;s71s77;s69s71;s71;s69s77;s69s78;s62s71;s27s39s45;s70s86;s62s78;s78;s61s70;s63s71;s69s70;s63;s67;;s9s65s95;s61s67;s77;s64s77;s60s61;s77s86;s62s96;s10s74;s8s73;s60s63;s7;s6;/rC:5.987,3.5783,-.0508;7.8783,1.749,2.644;4.1906,1.8761,-2.5432;7.7477,1.8506,-2.5238;4.0838,1.7393,2.6071;-11.3402,-.0168,-.157;11.3704,-.0168,-.157;9.3998,-.0105,.1953;-4.7018,.0083,.8718;2.4848,.0106,.1258;-4.648,3.4538,-1.5575;6.0107,-.0005,.0711;5.9729,1.6623,3.0537;3.8486,.0118,3.487;5.9578,2.1033,-3.3369;8.0362,-.0012,3.516;4.6233,3.4427,-1.4574;4.3056,-.0004,-3.0462;3.2071,2.5662,-3.8143;7.2987,2.9858,1.2183;7.2946,3.4558,-1.478;4.6471,2.9908,1.2001;2.8803,1.3853,-1.2833;9.4471,1.4001,1.6672;7.5467,-.0105,-3.0824;4.8038,.0048,1.0428;-.629,.019,-.2373;7.3355,-.0032,.9256;2.5123,1.4064,1.5863;8.7572,2.5259,-3.7858;8.9857,1.341,-1.2474;8.4553,2.8367,3.8846;2.5039,-1.3805,1.5908;5.9851,1.2692,-.828;5.9854,5.303,.2219;-3.2466,2.5632,-3.9135;3.4864,2.8287,3.8378;-3.4415,-2.8033,3.7576;-2.9311,1.375,-1.3899;5.9772,-1.2731,-.8237;-7.2761,2.9876,1.1599;8.9771,-1.3646,-1.2425;-3.4621,2.8463,3.7407;-8.9888,1.334,-1.3064;-2.494,1.4192,1.5183;-5.9488,-5.3033,.1646;-9.4104,1.3932,1.6189;5.9625,-1.6534,3.0591;5.9448,-2.1153,-3.3298;4.6016,-3.4402,-1.446;-5.9873,5.307,.1339;3.1913,-2.5626,-3.806;7.2801,-2.9911,1.2281;7.273,-3.4699,-1.4666;4.6284,-2.9797,1.2098;8.7417,-2.5565,-3.7768;8.438,-2.8407,3.8935;5.9522,-5.3033,.2394;3.4686,-2.8016,3.847;-5.9857,3.5865,-.1449;-4.0453,1.7559,2.5035;-9.3716,-.0099,.1415;-7.7674,1.8507,-2.5984;-4.2158,1.8691,-2.6304;-5.9733,-1.2752,-.9203;-7.9814,.0039,3.4503;-7.8411,1.7554,2.5685;-6.0008,2.1094,-3.4258;-5.9593,-3.5845,-.1241;-4.0324,-1.7244,2.5137;-7.754,-1.8756,-2.5874;5.9645,-3.5797,-.0391;7.8673,-1.7534,2.6496;4.179,-1.8745,-2.537;7.7362,-1.8708,-2.5173;4.073,-1.72,2.6129;-4.2026,-1.8687,-2.6196;-7.8288,-1.7506,2.5781;-5.9269,-1.6219,2.9728;-5.9856,-2.1261,-3.4138;-7.293,-3.4683,-1.5246;-8.7782,-2.5648,-3.8273;-4.6229,-3.4507,-1.538;-7.2542,-2.9868,1.1762;-8.9791,-1.3601,-1.2985;-2.4465,.0144,.0344;-2.4834,-1.3824,1.5271;-9.4006,-1.406,1.6264;-8.3892,-2.8305,3.8317;-3.8455,.019,3.3894;-7.5788,-.0134,-3.1564;-4.6224,-2.9737,1.1355;-8.7964,2.5252,-3.8425;-8.4095,2.8377,3.8161;-5.9823,1.2727,-.9274;-5.9697,.0013,-.031;-5.9388,1.6418,2.9643;-3.228,-2.5626,-3.8986;-4.3631,-.0017,-3.1579;-4.6447,2.9924,1.1186;-2.9223,-1.3577,-1.3818;-7.271,-.0007,.8589;2.8717,-1.3713,-1.279;9.4383,-1.4166,1.6718;-7.3183,3.4527,-1.5443;11.808,-.016,.718;-11.4887,-.0213,-1.1247;/R:/0/N:9,65,95,27,6,36,98,43,38,93,82,94,89,51,46,102,39,101,45,87,44,85,47,88,99,90,68,80,97,79,11,83,100,92,91,66,105,41,81,84,96,86,62,64,77,61,70,63,71,67,78,60,69;26,34,40,7,19,52,37,59,30,56,32,57,35,58,28,23,103,29,33,31,42,24,104,18,14,15,49,13,48,17,50,22,55,25,16,21,20,54,53,12,10,8,3,74,5,76,4,75,2,73,1,72/E:(1,2,3)(6,7,8,9)(10,11,12,13)(14,15)(17,18,19,20)(21,22,23,24)(25,26)(27,28,29,30)(31,32,33,34)(35,36)(37,38,39,40)(44,45,46,47)(48,49,50,51)(52,53);(1,2,3)(5,6,7,8)(9,10,11,12)(13,14)(16,17,18,19)(20,21,22,23)(24,25)(26,27,28,29)(30,31,32,33)(34,35)(36,37,38,39)(43,44,45,46)(47,48,49,50)(51,52)/CRV:1.1,2.1,3.1,4.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,41.4,42.5,43.6;1.1,2.1,3.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,40.4,41.4,42.6</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>356573.36044200</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>13361.65905100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>371228.40460515</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges.spin" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spin">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="107">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="107">2.623179 2.595049 2.614694 2.591507 2.621584 -0.814822 -0.803210 2.617258 -1.092507 2.396141 -1.034855 2.042760 -1.020693 -1.003151 -1.022668 -1.025226 -1.009373 -1.024783 -0.874773 -1.014669 -1.007051 -1.015357 -1.153632 -1.109377 -1.037791 -1.102226 -1.126830 -1.123501 -1.133027 -0.892418 -1.122310 -0.875343 -1.132993 -1.056876 -0.860543 -0.908430 -0.864850 -0.913825 -1.134192 -1.056901 -1.035864 -1.122315 -0.913373 -1.145151 -1.132830 -0.894522 -1.164812 -1.020698 -1.022678 -1.009345 -0.894390 -0.874756 -1.014652 -1.007024 -1.015357 -0.892362 -0.875331 -0.860499 -0.864850 2.597468 2.593844 2.641813 2.564674 2.597859 -1.054799 -1.060880 2.542948 -1.047034 2.597450 2.593687 2.564664 2.623156 2.594986 2.614668 2.591545 2.621606 2.598073 2.543059 -1.046028 -1.046943 -1.028644 -0.929754 -1.034896 -1.035822 -1.145017 2.698582 -1.133142 -1.164687 -0.938077 -1.044322 -1.053992 -1.044085 -0.929763 -0.937922 -1.054775 2.046709 -1.045932 -0.908000 -1.045500 -1.044017 -1.133505 -1.112844 -1.153538 -1.109411 -1.028586 0.056647 0.055320</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="107">2.018276 2.004754 2.028667 2.006588 2.030771 -1.001882 -0.976184 1.729849 -0.798482 1.710875 -0.849609 1.617193 -0.752379 -0.814302 -0.834869 -0.839127 -0.817108 -0.761924 -0.769598 -0.767821 -0.820425 -0.760582 -0.905677 -0.879518 -0.779618 -0.812712 -0.934560 -0.804272 -0.925316 -0.789727 -0.847079 -0.768334 -0.925113 -0.762800 -0.759650 -0.813508 -0.754486 -0.819157 -0.887521 -0.762826 -0.783926 -0.847114 -0.818636 -0.859152 -0.933638 -0.805256 -0.950991 -0.752422 -0.834900 -0.817075 -0.805121 -0.769570 -0.767779 -0.820409 -0.760607 -0.789675 -0.768317 -0.759592 -0.754478 2.001180 2.000770 1.761834 1.985042 2.008301 -0.753314 -0.881323 1.972764 -0.861653 2.001171 2.000495 1.985083 2.018272 2.004718 2.028605 2.006672 2.030765 2.008481 1.972705 -0.774276 -0.861612 -0.850183 -0.838501 -0.849650 -0.783921 -0.859212 1.977009 -0.933878 -0.951037 -0.849432 -0.865717 -0.796738 -0.788900 -0.838478 -0.849270 -0.753329 1.622126 -0.774317 -0.813000 -0.788282 -0.788654 -0.886608 -0.780481 -0.905561 -0.879652 -0.850148 0.380751 0.388229</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="107">2.125983 2.119722 2.136329 2.118735 2.133524 -0.996741 -0.958900 1.910410 -0.857204 1.798415 -0.896185 1.580130 -0.845198 -0.864178 -0.883206 -0.885802 -0.861138 -0.865493 -0.728007 -0.848495 -0.861649 -0.842580 -0.943534 -0.950366 -0.876097 -0.871980 -0.956085 -0.851503 -0.928376 -0.749415 -0.932518 -0.731203 -0.927983 -0.835192 -0.719870 -0.771394 -0.719414 -0.782320 -0.944492 -0.835242 -0.872041 -0.932807 -0.781658 -0.978257 -0.952917 -0.761864 -0.993596 -0.845254 -0.883232 -0.861160 -0.761677 -0.728017 -0.848365 -0.861533 -0.842616 -0.749352 -0.731185 -0.719841 -0.719482 2.116612 2.114086 1.972463 2.105958 2.124486 -0.821003 -0.939006 2.088605 -0.912002 2.116580 2.113812 2.106063 2.125966 2.119782 2.136198 2.118865 2.133497 2.124567 2.088616 -0.871287 -0.911970 -0.895445 -0.795104 -0.896335 -0.871833 -0.978727 2.068604 -0.952787 -0.993559 -0.809397 -0.916433 -0.888768 -0.881482 -0.795084 -0.809196 -0.820909 1.583941 -0.871221 -0.770904 -0.887482 -0.881215 -0.943249 -0.843901 -0.943262 -0.950625 -0.895539 0.400637 0.411752</array>
                  </list>
               </module>
               <module cmlx:templateRef="spin.density" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spinDensity">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="107">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="107">-0.028311 -0.035088 0.020477 -0.038099 0.018842 0.122974 0.134407 1.720821 0.011260 3.151805 -0.025993 0.007028 -0.005811 0.021157 -0.005653 -0.016065 -0.002026 0.020896 0.017170 0.003317 0.004266 -0.003171 0.131828 0.073659 -0.013063 0.085616 0.211884 0.042694 0.122143 0.018249 0.080617 0.007758 0.122150 0.000293 0.001404 0.007882 0.008096 0.005702 0.024410 0.000295 0.007657 0.080642 0.005498 0.073615 0.016136 0.005010 0.040271 -0.005822 -0.005654 -0.002031 0.005024 0.017161 0.003319 0.004269 -0.003191 0.018255 0.007777 0.001407 0.008109 -0.113308 -0.055242 1.837139 -0.147608 -0.021585 0.000160 -0.015206 -0.235457 -0.013137 -0.113119 -0.054906 -0.147994 -0.028363 -0.035264 0.020466 -0.038105 0.018863 -0.021967 -0.235003 -0.012222 -0.013088 0.007579 0.020447 -0.026016 0.007682 0.073549 0.743468 0.017324 0.040173 0.014210 -0.006536 -0.019675 -0.037453 0.020437 0.014233 0.000163 0.002262 -0.012298 0.007461 -0.005921 -0.037527 0.023042 0.034940 0.131727 0.073713 0.007574 0.012363 0.014754</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="107">-0.023954 -0.025535 0.018468 -0.028528 0.015150 0.197588 0.207685 1.314277 0.021541 2.658200 -0.026520 0.003726 -0.009886 0.021349 -0.007724 -0.013261 -0.002351 0.023329 0.019141 0.003233 0.002584 -0.002412 0.249143 0.122834 -0.009074 0.083771 0.301650 0.074972 0.237090 0.017185 0.136604 0.005753 0.237017 0.000588 0.000051 0.006351 0.007699 0.002286 0.043595 0.000586 -0.001129 0.136636 0.002054 0.122459 0.036176 -0.000533 0.097869 -0.009901 -0.007724 -0.002362 -0.000527 0.019125 0.003223 0.002584 -0.002441 0.017192 0.005765 0.000051 0.007711 -0.095052 -0.046226 1.405507 -0.120484 -0.018324 0.003119 -0.020177 -0.190846 -0.017686 -0.094891 -0.045940 -0.120806 -0.024000 -0.025685 0.018450 -0.028532 0.015155 -0.018646 -0.190439 -0.020884 -0.017642 -0.000146 0.013808 -0.026553 -0.001085 0.122395 0.609607 0.037293 0.097773 0.003040 -0.009199 -0.020283 -0.035253 0.013813 0.003041 0.003129 0.006826 -0.020966 0.005906 -0.006358 -0.035324 0.042375 0.071739 0.248927 0.122888 -0.000148 0.046575 0.049784</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="107">-0.022536 -0.025689 0.013525 -0.030999 0.013976 0.196971 0.201630 1.312920 0.021668 2.678316 -0.027117 0.008612 -0.009129 0.019959 -0.009570 -0.016393 -0.003599 0.020427 0.015915 0.006799 0.002702 -0.000380 0.244689 0.127650 -0.014086 0.094365 0.315147 0.072243 0.217382 0.017140 0.149357 0.005201 0.216990 0.002878 0.000805 0.006416 0.004289 0.002783 0.044311 0.002912 -0.000043 0.149401 0.002558 0.124738 0.036155 0.002822 0.110683 -0.009132 -0.009568 -0.003556 0.002838 0.015891 0.006787 0.002716 -0.000359 0.017141 0.005217 0.000812 0.004323 -0.093584 -0.046451 1.413430 -0.122187 -0.018313 0.007213 -0.026639 -0.196348 -0.018725 -0.093420 -0.046160 -0.122526 -0.022558 -0.025832 0.013529 -0.031005 0.014038 -0.018617 -0.195923 -0.023140 -0.018679 -0.001055 0.014443 -0.027120 -0.000020 0.124707 0.623887 0.037332 0.110547 0.003595 -0.013709 -0.023499 -0.037306 0.014462 0.003590 0.007232 0.009182 -0.023246 0.005962 -0.010080 -0.037350 0.042944 0.062207 0.244182 0.127680 -0.001113 0.040618 0.035919</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-815.164597</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">907.740800</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">34.727905</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-1174.182713</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-176.060173</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-1222.938773</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="107">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="107">2.72068614 2.63301088 2.69562001 2.66378838 2.67779980 -0.92686355 -0.91268150 2.11192379 -1.12578214 1.92207675 -1.09282878 2.61730912 -1.06436105 -1.06809421 -1.08705990 -1.08269684 -1.07265919 -1.06202238 -0.88277512 -1.05273598 -1.07117168 -1.05451113 -1.07710939 -1.03251285 -1.07233394 -1.10303652 -0.87587504 -1.16091316 -1.06854872 -0.89973702 -1.02731790 -0.88596213 -1.06844310 -1.11736466 -0.87338940 -0.91434392 -0.87655112 -0.92193245 -1.03693784 -1.11738936 -1.05954789 -1.02732974 -0.92163470 -1.04585475 -1.04958880 -0.90571410 -1.07625616 -1.06437189 -1.08705166 -1.07263492 -0.90560361 -0.88273071 -1.05272967 -1.07116332 -1.05449877 -0.89971777 -0.88593151 -0.87335071 -0.87654703 2.67339694 2.63136970 2.12362067 2.62016615 2.66408902 -1.11996764 -1.09927168 2.55693255 -1.10183389 2.67333321 2.63096066 2.62035847 2.72062306 2.63291169 2.69548080 2.66394116 2.67793415 2.66448542 2.55680189 -1.06970230 -1.10170308 -1.08017802 -0.93480762 -1.09287191 -1.05944220 -1.04586413 2.02781059 -1.04920256 -1.07621669 -0.94576703 -1.09249535 -1.07957158 -1.07537167 -0.93476885 -0.94571203 -1.11990124 2.60219525 -1.06962485 -0.91402195 -1.07337359 -1.07534934 -1.03716106 -1.15263538 -1.07709695 -1.03250308 -1.08010192 0.27923036 0.27686063</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="107">-0.03781835 -0.04684791 0.02534715 -0.05146384 0.02550111 0.04425839 0.05911511 2.04970038 -0.00252403 3.63728171 -0.02152418 0.01895730 -0.00451075 0.02142314 -0.00367579 -0.01361979 -0.00243899 0.02010716 0.01695423 0.00918084 0.01013735 -0.00340219 0.02272900 0.03018255 -0.01006083 0.03108637 0.13918095 -0.00537658 0.02466614 0.02039820 0.02979033 0.00969504 0.02463854 0.00011064 0.00271254 0.00890392 0.00775777 0.00828031 0.00680921 0.00011168 0.03379052 0.02981669 0.00809321 0.02730624 0.00144575 0.01049753 0.00377895 -0.00451630 -0.00367772 -0.00244038 0.01052135 0.01694509 0.00919956 0.01014597 -0.00342158 0.02040456 0.00972264 0.00271800 0.00777033 -0.14747959 -0.07171943 2.17304262 -0.19287389 -0.02774531 0.00092783 0.01122662 -0.30689159 -0.00264171 -0.14723122 -0.07131551 -0.19338817 -0.03788848 -0.04708038 0.02533916 -0.05147468 0.02553729 -0.02815233 -0.30631039 0.00776535 -0.00256484 0.02927641 0.02740102 -0.02154404 0.03376100 0.02728648 0.86674337 0.00222940 0.00369787 0.02498135 0.00243937 -0.00506597 -0.03149049 0.02737282 0.02503028 0.00092508 0.00418404 0.00772834 0.00850372 -0.00139792 -0.03154309 0.00604225 -0.00633754 0.02268098 0.03026092 0.02926918 0.00713704 0.01149255</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">16.71022974 0.00000166 0.55742660</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">0.557427</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-1832.11821277 0.46756722 57.39639403 937.91864183 0.04573957 894.19957094</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">20.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">21.39417738</scalar>
               </module>
               <module cmlx:templateRef="orbital.energies.spin.zora"
                       dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5226">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 2313 2314 2315 2316 2317 2318 2319 2320 2321 2322 2323 2324 2325 2326 2327 2328 2329 2330 2331 2332 2333 2334 2335 2336 2337 2338 2339 2340 2341 2342 2343 2344 2345 2346 2347 2348 2349 2350 2351 2352 2353 2354 2355 2356 2357 2358 2359 2360 2361 2362 2363 2364 2365 2366 2367 2368 2369 2370 2371 2372 2373 2374 2375 2376 2377 2378 2379 2380 2381 2382 2383 2384 2385 2386 2387 2388 2389 2390 2391 2392 2393 2394 2395 2396 2397 2398 2399 2400 2401 2402 2403 2404 2405 2406 2407 2408 2409 2410 2411 2412 2413 2414 2415 2416 2417 2418 2419 2420 2421 2422 2423 2424 2425 2426 2427 2428 2429 2430 2431 2432 2433 2434 2435 2436 2437 2438 2439 2440 2441 2442 2443 2444 2445 2446 2447 2448 2449 2450 2451 2452 2453 2454 2455 2456 2457 2458 2459 2460 2461 2462 2463 2464 2465 2466 2467 2468 2469 2470 2471 2472 2473 2474 2475 2476 2477 2478 2479 2480 2481 2482 2483 2484 2485 2486 2487 2488 2489 2490 2491 2492 2493 2494 2495 2496 2497 2498 2499 2500 2501 2502 2503 2504 2505 2506 2507 2508 2509 2510 2511 2512 2513 2514 2515 2516 2517 2518 2519 2520 2521 2522 2523 2524 2525 2526 2527 2528 2529 2530 2531 2532 2533 2534 2535 2536 2537 2538 2539 2540 2541 2542 2543 2544 2545 2546 2547 2548 2549 2550 2551 2552 2553 2554 2555 2556 2557 2558 2559 2560 2561 2562 2563 2564 2565 2566 2567 2568 2569 2570 2571 2572 2573 2574 2575 2576 2577 2578 2579 2580 2581 2582 2583 2584 2585 2586 2587 2588 2589 2590 2591 2592 2593 2594 2595 2596 2597 2598 2599 2600 2601 2602 2603 2604 2605 2606 2607 2608 2609 2610 2611 2612 2613</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="5226">1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="5226"
                            units="nonsi:electronvolt">-183.028555 -182.726527 -131.897808 -131.888096 -131.886204 -131.596020 -131.589612 -131.583053 -84.338039 -84.336383 -84.312840 -84.311562 -84.192739 -84.192350 -84.137422 -84.135781 -83.967491 -83.967013 -83.738978 -83.737793 -83.736166 -83.735990 -83.624755 -83.621622 -83.335559 -83.334213 -83.061800 -83.059986 -77.264127 -76.270392 -76.125039 -76.102910 -48.648415 -48.592071 -48.588830 -48.068837 -48.058150 -48.056373 -48.039693 -48.034500 -47.930842 -47.926592 -47.923532 -47.913912 -47.907084 -47.877819 -47.837014 -47.836593 -47.830983 -47.822382 -47.819461 -47.805333 -47.795007 -47.778409 -47.746837 -47.738855 -47.716738 -47.705433 -47.697051 -47.665725 -47.641540 -47.629356 -47.624737 -47.573976 -47.572824 -47.569578 -47.515560 -47.507563 -47.488763 -47.482982 -47.459961 -47.444925 -47.419050 -47.414615 -47.303348 -47.270976 -47.262064 -47.252381 -47.245425 -47.224398 -47.222854 -47.216796 -47.199636 -47.186599 -47.184485 -47.167896 -47.155916 -47.147302 -47.140972 -47.122604 -47.112028 -47.057886 -47.025050 -47.001716 -46.981689 -46.863945 -46.829519 -46.824305 -46.782475 -46.737960 -46.531114 -46.515289 -46.483996 -46.431548 -36.836896 -36.833645 -36.822583 -36.822418 -36.813033 -36.810429 -36.794350 -36.793823 -36.792679 -36.792573 -36.790342 -36.789783 -36.789345 -36.787816 -36.786023 -36.784151 -36.783022 -36.781822 -36.776764 -36.776093 -36.775283 -36.774990 -36.761577 -36.761395 -36.757134 -36.756972 -36.749192 -36.749186 -36.687611 -36.685652 -36.662290 -36.660516 -36.660090 -36.657125 -36.644393 -36.644330 -36.635608 -36.634465 -36.631761 -36.631330 -36.630933 -36.629487 -36.628572 -36.627314 -36.621478 -36.620698 -36.612947 -36.612558 -36.603114 -36.600865 -36.586254 -36.585554 -36.568524 -36.567336 -36.562117 -36.560167 -36.483482 -36.481694 -36.456227 -36.454380 -36.440680 -36.440514 -36.427454 -36.426270 -36.409785 -36.409453 -36.393467 -36.392298 -36.386891 -36.385328 -36.285543 -36.284666 -36.251999 -36.251059 -36.248135 -36.247385 -36.246210 -36.245034 -36.226613 -36.225716 -36.220574 -36.217824 -36.204548 -36.202101 -36.195786 -36.194995 -36.188649 -36.186097 -36.175608 -36.173356 -36.164973 -36.164245 -36.158671 -36.158615 -36.157653 -36.156159 -36.151267 -36.148786 -36.146901 -36.142909 -36.117871 -36.114688 -36.100255 -36.097362 -36.085176 -36.081400 -36.065074 -36.062348 -36.040189 -36.037368 -36.033234 -36.029885 -35.893424 -35.891405 -35.863635 -35.861506 -35.846437 -35.845281 -35.825339 -35.823659 -35.787152 -35.785885 -35.742202 -35.740376 -35.735001 -35.733059 -35.654005 -35.651155 -35.619818 -35.617877 -35.601767 -35.600904 -35.577888 -35.575022 -35.519212 -35.518080 -35.451959 -35.450426 -35.444827 -35.442659 -30.006346 -29.643773 -27.564187 -27.492876 -27.454923 -27.203489 -27.121352 -27.105532 -26.456669 -26.182140 -26.092804 -26.027722 -26.005550 -25.966616 -25.893248 -25.869091 -25.867524 -25.844585 -25.757593 -25.706308 -25.664954 -25.602411 -25.529300 -25.523376 -25.439378 -25.409428 -25.406577 -25.323836 -25.323170 -25.303521 -25.293081 -25.279011 -25.237317 -25.233534 -25.201100 -25.186550 -25.182942 -25.157278 -25.154533 -25.116915 -25.110884 -25.084849 -25.073265 -25.021579 -25.007809 -25.003024 -24.998487 -24.984118 -24.926809 -24.925584 -24.918052 -24.907409 -24.904146 -24.888402 -24.832822 -24.818562 -24.813821 -24.802389 -24.776598 -24.740888 -24.725513 -24.708200 -24.706577 -24.705998 -24.660188 -24.620659 -24.614269 -24.609164 -24.574736 -24.541769 -24.516119 -24.459279 -24.380961 -24.355186 -24.308549 -24.199037 -24.092819 -24.043137 -23.997308 -16.819499 -16.456497 -14.552671 -14.426499 -14.359052 -14.108993 -14.074040 -14.006218 -13.871775 -13.791035 -13.451277 -13.417446 -13.331169 -13.265163 -13.159226 -13.065121 -12.963143 -12.906277 -12.902145 -12.899771 -12.890109 -12.853674 -12.714262 -12.676813 -12.655526 -12.638608 -12.617365 -12.560273 -12.516547 -12.468315 -12.457847 -12.427179 -12.365504 -12.351476 -12.301362 -12.295439 -12.281595 -12.181664 -12.172810 -12.153555 -12.139425 -12.085630 -12.081092 -12.044887 -12.011261 -11.979935 -11.939120 -11.889513 -11.775783 -11.684354 -11.674133 -11.635599 -11.624793 -11.592546 -11.568847 -11.555702 -11.545600 -11.520800 -11.503312 -11.437745 -11.426795 -11.421490 -11.305637 -11.277989 -11.219263 -11.207648 -11.194693 -11.194264 -11.192068 -11.146088 -11.111317 -11.102238 -11.077440 -11.070888 -11.050034 -10.993351 -10.979278 -10.977741 -10.932247 -10.901435 -10.883062 -10.877659 -10.832419 -10.823171 -10.811979 -10.765157 -10.750771 -10.745973 -10.744681 -10.693796 -10.669674 -10.634971 -10.595307 -10.587769 -10.571935 -10.565124 -10.564778 -10.558273 -10.533096 -10.522943 -10.495640 -10.462487 -10.453039 -10.442070 -10.433187 -10.399713 -10.396762 -10.386045 -10.354687 -10.344909 -10.322168 -10.320579 -10.294682 -10.265717 -10.236258 -10.216401 -10.196606 -10.191234 -10.185955 -10.170666 -10.152271 -10.123933 -10.101698 -10.081633 -10.078368 -10.062240 -10.052603 -9.986453 -9.958071 -9.947815 -9.911137 -9.858162 -9.828152 -9.820995 -9.777896 -9.750645 -9.734469 -9.703328 -9.695168 -9.690715 -9.684598 -9.653616 -9.616728 -9.582959 -9.553593 -9.521840 -9.478477 -9.471062 -9.461161 -9.455033 -9.386521 -9.346124 -9.317421 -9.308715 -9.279236 -9.264902 -9.228388 -9.201562 -9.198524 -9.095723 -9.065118 -9.062458 -9.032178 -8.982674 -8.966515 -8.959073 -8.940310 -8.937425 -8.898935 -8.886808 -8.855421 -8.819110 -8.768555 -8.721257 -8.706269 -8.689754 -8.610684 -8.583092 -8.554163 -8.535448 -8.525167 -8.501852 -8.482371 -8.445918 -8.439492 -8.413758 -8.392306 -8.372630 -8.356826 -8.354997 -8.328517 -8.322167 -8.302148 -8.281062 -8.267052 -8.253293 -8.230726 -8.208859 -8.178234 -8.177966 -8.164598 -8.156297 -8.154852 -8.126789 -8.110988 -8.023904 -8.002561 -7.989044 -7.930976 -7.925715 -7.914570 -7.907129 -7.879289 -7.854815 -7.852555 -7.843684 -7.838678 -7.773241 -7.766006 -7.758594 -7.740845 -7.739392 -7.733138 -7.731478 -7.669127 -7.650162 -7.634258 -7.504180 -7.462521 -7.380546 -7.311636 -7.265783 -7.228870 -7.188161 -7.180245 -6.991540 -6.843045 -6.583728 -6.510960 -6.369580 -6.028489 -5.946267 -5.763707 -5.723619 -5.463294 -5.126819 -4.937865 -4.912858 -4.716140 -2.520194 -2.284147 -2.159979 -2.089618 -2.012529 -1.778993 -1.743653 -1.708741 -1.535922 -1.490467 -1.447029 -1.443401 -1.427459 -1.364864 -1.327013 -1.320242 -1.305878 -1.250010 -1.224712 -1.211278 -1.132525 -1.130300 -0.972527 -0.921003 -0.911491 -0.893555 -0.822528 -0.796756 -0.769690 -0.704774 -0.685189 -0.657327 -0.612525 -0.606310 -0.518128 -0.504738 -0.475205 -0.473834 -0.400693 -0.384595 -0.363685 -0.311762 -0.284468 -0.276302 -0.231207 -0.128008 -0.093280 -0.039427 -0.010347 0.029898 0.071493 0.137952 0.141965 0.158653 0.192844 0.208629 0.223880 0.306600 0.320787 0.385467 0.440282 0.496450 0.539832 0.640310 0.704603 0.749565 0.823018 0.851613 0.899899 0.964366 1.004014 1.036361 1.150783 1.184386 1.222289 1.265813 1.303439 1.332409 1.348656 1.481458 1.545707 1.549809 1.571421 1.611520 1.731172 1.759986 1.784419 1.802828 1.815991 1.868017 1.919029 1.919677 1.979693 2.007355 2.080745 2.130881 2.146148 2.221695 2.246907 2.287250 2.302275 2.320217 2.402174 2.461196 2.481036 2.541941 2.543633 2.588171 2.701423 2.739001 2.852576 2.915828 2.978177 2.987616 3.085513 3.219360 3.234248 3.302563 3.382662 3.503331 3.658305 3.772451 3.810970 3.939014 3.953522 4.056490 4.141812 4.212674 4.232949 4.291901 4.305625 4.330140 4.331616 4.386471 4.449776 4.463333 4.496257 4.573223 4.619829 4.627058 4.661944 4.674067 4.703421 4.717184 4.771663 4.816650 4.873129 4.928674 4.939822 4.974865 5.084085 5.119178 5.119523 5.174536 5.197492 5.207883 5.252398 5.280748 5.396176 5.399599 5.475912 5.595520 5.605294 5.714927 5.806059 5.846575 5.900255 5.950691 5.963642 5.977255 6.043719 6.052910 6.069115 6.087677 6.175589 6.190128 6.209733 6.256105 6.261973 6.270208 6.301266 6.372999 6.419712 6.434255 6.467250 6.500929 6.637889 6.660772 6.714754 6.748470 6.775641 6.833812 6.890348 6.907660 6.929325 6.959608 7.146621 7.175816 7.223442 7.266547 7.276572 7.334949 7.440339 7.475902 7.536199 7.561236 7.581646 7.597777 7.616531 7.651847 7.710733 7.760614 7.807990 7.817749 7.870390 7.945360 8.052491 8.084496 8.113243 8.207994 8.218174 8.303714 8.333647 8.384856 8.395968 8.412304 8.416114 8.451907 8.539682 8.542639 8.614559 8.624987 8.646271 8.689865 8.691215 8.761096 8.762135 8.836389 8.837714 8.863322 8.913202 8.998304 9.022226 9.052080 9.151041 9.169318 9.177844 9.333480 9.386368 9.388074 9.430813 9.449279 9.453636 9.560479 9.560884 9.607945 9.665606 9.694879 9.848898 9.905218 9.914361 9.987434 10.064113 10.120170 10.160298 10.183420 10.221984 10.250727 10.265223 10.274899 10.343623 10.344369 10.368213 10.412953 10.444941 10.530292 10.571070 10.595614 10.604905 10.678508 10.741946 10.788547 10.825141 10.888806 10.895078 11.015921 11.077248 11.131081 11.209888 11.318791 11.334006 11.367606 11.395305 11.533224 11.598045 11.662598 11.684939 11.700906 11.733997 11.736808 11.810113 11.899200 11.900018 11.990712 12.050681 12.068400 12.099936 12.141503 12.151655 12.168183 12.210338 12.262179 12.288758 12.360895 12.373134 12.411635 12.417953 12.441845 12.464642 12.510746 12.564762 12.689305 12.725778 12.760952 12.797562 12.803542 12.851738 12.954327 12.969623 12.976359 13.043320 13.113653 13.199696 13.236023 13.245104 13.280158 13.337509 13.370983 13.376952 13.394286 13.450627 13.484429 13.516533 13.709325 13.778104 13.833273 13.842829 13.876813 13.892130 14.064849 14.073448 14.134045 14.176284 14.253854 14.273732 14.331824 14.475222 14.480552 14.508304 14.738055 14.739952 14.826681 14.830319 14.942702 14.963829 15.072819 15.120646 15.197012 15.219282 15.529025 15.601558 15.662640 15.764157 15.895297 15.916315 15.940944 16.007264 16.089728 16.273117 16.328125 16.533734 16.536236 16.921330 17.047856 17.090674 17.200214 17.221513 17.346387 17.496180 17.554830 17.617002 17.964102 18.102861 18.145321 18.278030 18.475757 18.549974 18.550682 18.689714 18.766383 18.809859 18.874537 18.895907 18.931544 18.958557 19.041322 19.062043 19.147891 19.163828 19.179761 19.223322 19.318521 19.372244 19.384512 19.448408 19.454167 19.504983 19.562257 19.657404 19.662448 19.686083 19.706547 19.745436 19.838815 19.865860 19.930392 19.987390 20.039581 20.074246 20.176511 20.237643 20.257234 20.310429 20.367577 20.431247 20.541177 20.627307 20.761884 20.954461 20.991346 21.040867 21.089266 21.134043 21.152603 21.234472 21.265751 21.303516 21.329086 21.360794 21.412360 21.433824 21.455705 21.519784 21.588738 21.614363 21.665283 21.703777 21.711732 21.744043 21.832457 21.877550 21.929468 21.977085 21.999848 22.079179 22.130685 22.172190 22.186031 22.274251 22.282799 22.337853 22.373469 22.398940 22.439970 22.457358 22.496928 22.554014 22.556916 22.674805 22.718690 22.721432 22.788721 22.845195 22.959215 23.028386 23.057219 23.185850 23.232320 23.299442 23.416287 23.422448 23.481605 23.515654 23.536082 23.631145 23.684431 23.703350 23.847380 23.861670 23.924963 23.968450 24.105187 24.131113 24.335125 24.345645 24.395031 24.474189 24.488558 24.504666 24.561886 24.673734 24.697175 24.744477 24.852599 24.855418 24.961168 24.981522 25.009202 25.126571 25.180673 25.212191 25.277978 25.300177 25.330361 25.417530 25.425260 25.483494 25.648631 25.685348 25.763696 25.831452 25.888873 25.981785 26.085987 26.182153 26.245898 26.309154 26.344205 26.372814 26.568013 26.625816 26.685913 26.696132 26.783692 26.892413 27.076365 27.082661 27.127749 27.260000 27.273163 27.367808 27.538699 27.581178 27.684018 27.694915 27.712160 27.733302 27.845116 27.862488 27.945340 27.995341 28.017957 28.076878 28.132393 28.215378 28.219581 28.248927 28.262431 28.351976 28.369462 28.410070 28.479238 28.516458 28.523285 28.587212 28.616685 28.659167 28.801056 28.805000 28.887169 28.927383 28.949568 29.013812 29.039730 29.078541 29.169478 29.238399 29.337479 29.391271 29.409273 29.443388 29.486867 29.610640 29.633486 29.694165 29.774275 29.776538 29.802431 29.803905 29.820391 29.946495 29.965535 30.033928 30.078460 30.127337 30.160542 30.225844 30.269349 30.304700 30.308654 30.380859 30.516297 30.555655 30.573718 30.626460 30.648865 30.704097 30.720233 30.737873 30.851786 30.894859 30.911164 30.958861 31.005381 31.047319 31.048154 31.116969 31.257597 31.263452 31.306566 31.341983 31.377350 31.432679 31.487700 31.498263 31.534341 31.626413 31.640462 31.652296 31.660687 31.757047 31.781117 31.788523 31.843601 31.848764 31.882055 31.961799 31.987382 32.045775 32.054352 32.102225 32.110060 32.150313 32.201460 32.255415 32.259730 32.374087 32.421766 32.473258 32.490846 32.526970 32.578017 32.631554 32.676180 32.740978 32.799517 32.868573 32.929847 32.949347 33.022880 33.054708 33.125597 33.137973 33.257266 33.295533 33.300225 33.346048 33.368641 33.409619 33.441474 33.472564 33.497177 33.601262 33.643571 33.666088 33.684419 33.716851 33.822366 33.885234 33.932602 33.967853 34.010030 34.016926 34.068231 34.100696 34.132685 34.158066 34.243475 34.283170 34.303552 34.343672 34.344573 34.409270 34.421544 34.503333 34.555453 34.576812 34.619704 34.624073 34.637960 34.647148 34.713767 34.740624 34.749506 34.808218 34.813602 34.828351 34.859855 34.900854 34.929969 34.970876 35.034603 35.046887 35.094572 35.140831 35.190218 35.195468 35.258691 35.271320 35.301463 35.310418 35.316418 35.355665 35.360065 35.455563 35.515251 35.542610 35.545640 35.630719 35.636838 35.669584 35.672234 35.718914 35.746807 35.759437 35.790750 35.828473 35.852814 35.864148 35.889362 35.928508 35.979337 36.031812 36.065660 36.140027 36.158419 36.161471 36.188341 36.248394 36.285275 36.320245 36.322754 36.347826 36.363478 36.382447 36.398926 36.469421 36.474719 36.504799 36.557464 36.611083 36.617496 36.670269 36.688596 36.715971 36.798951 36.826801 36.845301 36.897089 37.000779 37.012917 37.030168 37.100933 37.132421 37.189642 37.253206 37.278020 37.281309 37.345301 37.411992 37.425364 37.434165 37.449595 37.472882 37.512579 37.618988 37.625937 37.724239 37.781855 37.812280 37.826834 37.831842 37.879785 37.912970 37.962821 37.967097 38.153301 38.156697 38.182633 38.187763 38.290474 38.297418 38.306973 38.310772 38.405709 38.462495 38.503926 38.549133 38.583637 38.613995 38.623765 38.646963 38.694437 38.724587 38.776613 38.800186 38.849448 38.865415 38.894381 38.965205 39.005617 39.061329 39.066773 39.118879 39.157298 39.194117 39.229242 39.242695 39.324312 39.338344 39.416457 39.468481 39.536183 39.548742 39.577913 39.589437 39.660654 39.674391 39.715661 39.717857 39.811440 39.843139 39.846949 39.896217 39.937381 40.011452 40.026905 40.043973 40.109812 40.173417 40.304126 40.342936 40.362632 40.407059 40.444067 40.511944 40.653433 40.679340 40.717700 40.730312 40.746080 40.813865 40.850006 40.970936 41.098601 41.211175 41.257652 41.265902 41.328890 41.428444 41.458299 41.569451 41.585499 41.603318 41.664651 41.775737 41.843974 41.962300 41.989399 42.018376 42.044632 42.056088 42.108961 42.219732 42.237204 42.285040 42.326006 42.408731 42.416638 42.465406 42.587999 42.636118 42.649566 42.759437 42.785839 42.858898 42.890871 42.917459 42.953347 42.970059 43.001130 43.073759 43.102044 43.199674 43.261069 43.261867 43.335771 43.477227 43.624689 43.652218 43.689781 43.710433 43.782488 43.829686 43.851510 43.925807 43.970215 44.124813 44.129095 44.324512 44.400156 44.419861 44.447424 44.591731 44.621520 44.741575 44.765596 44.875012 44.942950 45.070834 45.087881 45.189844 45.248771 45.432950 45.568805 45.696271 45.804882 45.840405 45.868513 45.880958 45.933225 46.063268 46.087957 46.177978 46.191371 46.210221 46.244480 46.277623 46.374138 46.378075 46.423801 46.516334 46.560393 46.727140 46.751521 46.760967 46.835025 46.851867 46.935459 46.992080 47.002965 47.034353 47.218801 47.251037 47.311843 47.384292 47.404557 47.477983 47.635235 47.648849 47.697100 47.707483 47.722917 47.937297 48.094436 48.117775 48.164814 48.202227 48.244321 48.269490 48.364739 48.453249 48.503116 48.578779 48.631096 48.733398 48.752433 48.837454 48.840404 48.909251 48.961288 49.051676 49.109320 49.143605 49.150097 49.192881 49.257737 49.337584 49.351118 49.464927 49.544522 49.685194 49.692532 49.941838 50.024087 50.146317 50.207505 50.403906 50.448280 50.467174 50.536545 50.602465 50.849919 50.884752 50.974325 51.040359 51.147114 51.207631 51.341633 51.394530 51.504962 51.566900 51.644218 51.685389 51.830660 51.871089 51.959535 52.034237 52.102522 52.128332 52.181070 52.274664 52.461391 52.477128 52.505509 52.520784 52.574146 52.880915 52.942762 52.978553 52.991670 53.089740 53.106106 53.110628 53.205334 53.216984 53.304175 53.485427 53.499102 53.535720 53.593365 53.660229 53.686507 53.734120 53.830663 53.871825 53.969819 54.090738 54.164144 54.201871 54.297638 54.353170 54.405060 54.665295 54.680963 54.796009 54.855848 54.983728 55.081771 55.109360 55.228513 55.252551 55.326795 55.402534 55.517457 55.601485 55.791337 55.816319 55.862052 56.098101 56.133639 56.146077 56.280486 56.297106 56.310267 56.444068 56.534810 56.625376 56.629622 56.646920 56.745644 56.815405 56.862708 56.924798 56.964239 57.025406 57.086746 57.160826 57.197101 57.291100 57.409040 57.473497 57.593818 57.664486 57.723529 57.753713 57.798309 57.817865 57.885530 57.957547 57.962740 58.050525 58.242872 58.245679 58.282665 58.310325 58.353284 58.575360 58.605647 58.697547 58.712942 58.805674 58.815278 58.850682 58.955316 59.096994 59.129773 59.303153 59.364659 59.384548 59.414973 59.461115 59.670314 59.710097 59.751831 59.820359 59.930811 59.934009 60.016787 60.118622 60.139596 60.155319 60.168652 60.211529 60.236040 60.402225 60.446835 60.528500 60.578155 60.628479 60.651993 60.731653 60.759003 60.833379 60.910779 60.998145 61.013181 61.095501 61.097753 61.126871 61.180857 61.198917 61.307602 61.372671 61.454057 61.528107 61.615787 61.793488 61.898869 61.899691 61.960682 62.195476 62.278473 62.383518 62.538313 62.634782 62.672594 62.718008 62.843184 63.032427 63.119810 63.391618 63.429255 63.532111 63.624460 63.728085 63.737887 63.807051 63.996991 64.041115 64.082816 64.127119 64.213303 64.374351 64.389296 64.502564 64.541526 64.558211 64.690299 64.731009 64.753124 64.784311 64.944708 65.017869 65.142613 65.247893 65.383392 65.426264 65.551417 65.630395 65.685720 65.842495 65.925626 66.110252 66.153621 66.181134 66.209093 66.329621 66.345643 66.494806 66.537079 66.603860 66.661160 66.753524 66.997860 67.046259 67.194712 67.284315 67.358689 67.408106 67.437724 67.547322 67.633544 67.815503 67.948249 68.007625 68.065371 68.113684 68.235122 68.253830 68.306486 68.429480 68.600377 68.785978 68.813398 68.864460 68.923852 68.987228 69.061566 69.069551 69.122556 69.215187 69.263661 69.298070 69.338681 69.373747 69.596770 69.622622 69.702745 69.731826 69.928559 69.934297 70.025068 70.089162 70.115555 70.186297 70.200554 70.568852 70.656834 70.730545 70.749014 70.828832 71.172812 71.236640 71.348017 71.372363 71.516283 71.693243 71.721764 71.761335 71.836266 71.917410 71.959466 71.964180 72.036800 72.072217 72.091826 72.214290 72.233205 72.300644 72.353741 72.390644 72.395403 72.404851 72.433135 72.448870 72.447646 72.527602 72.638145 72.645326 72.675749 72.707770 72.719913 72.764211 72.818243 72.830527 72.884633 72.895528 72.945601 72.953038 73.048746 73.100800 73.160258 73.232674 73.322170 73.396259 73.466810 73.541463 73.722157 73.761223 73.818336 73.896284 73.991633 74.161722 74.207782 74.406604 74.676246 74.903498 75.183563 75.880025 76.307185 76.549044 76.785417 77.569607 81.623978 81.729868 81.808529 82.169908 82.548405 82.603261 82.835485 82.908192 83.149656 83.337137 83.605162 83.637694 83.858089 83.960354 84.024922 84.106306 84.182460 84.466504 84.540257 84.577435 84.666485 84.710820 84.767789 84.993468 85.017834 85.059196 85.119285 85.231297 85.459644 85.613767 85.690553 85.704919 85.726863 85.810497 86.026861 86.122987 86.128699 86.232337 86.263705 86.328502 86.388710 86.526836 86.565544 86.852922 86.901557 86.943617 87.019955 87.169384 87.178084 87.454814 87.496933 87.537693 87.640218 87.681587 87.743989 87.914566 87.998662 88.193599 88.240547 88.432862 88.473098 88.549854 88.650282 89.049499 89.114809 89.121376 89.563992 89.599479 89.637707 90.031743 90.191119 90.258418 90.323998 90.764123 90.830295 91.043155 91.098799 91.372034 91.413181 91.854122 91.966882 92.189283 92.314695 92.496121 92.734682 92.772280 92.852037 92.920161 92.992175 93.169442 93.206101 93.575078 94.328072 94.576606 94.895947 95.041337 95.070263 95.100318 95.509933 95.611238 95.789494 95.829293 96.017320 96.143625 96.169397 96.537963 96.708199 96.793298 96.817066 96.972162 97.572445 97.737144 97.805808 97.920642 98.237703 98.578149 98.881893 107.718835 108.031000 108.244250 108.568004 108.766476 108.874543 108.955315 108.971296 109.196766 109.265055 109.391243 109.477972 109.562804 109.701786 109.829490 109.976167 110.150484 110.719387 111.384492 111.633947 111.991514 112.141466 112.342727 112.791202 126.425499 126.646972 127.224240 127.471566 127.783212 127.951374 127.997071 128.454664 128.967500 129.130135 129.485483 129.516119 129.674469 129.862003 129.886670 130.124350 130.161872 130.350650 130.458056 130.531993 130.822338 130.932472 131.147533 131.155342 131.291269 131.758125 132.577261 132.663548 132.959850 133.062223 133.087032 133.249062 133.432019 133.490265 133.580897 133.687690 133.731044 134.021961 134.145559 134.244147 134.245805 134.378571 134.472448 134.626196 134.717927 134.746996 135.086919 135.146237 135.234406 135.306822 135.678459 135.695261 135.749719 136.207372 136.260410 136.434521 136.461706 136.611675 136.842323 137.054042 137.102738 137.522783 137.571055 137.747151 137.981528 138.512467 138.545341 138.809914 138.865449 138.932258 139.293311 139.453328 139.471445 139.978209 140.073457 140.325109 140.542685 140.561885 140.869323 140.925390 141.220240 141.457703 141.481830 141.660979 141.681116 141.791286 142.003102 142.138979 142.292352 142.379141 142.429958 142.469488 142.487404 142.550472 142.766223 142.875528 143.035855 143.095073 143.190566 143.320763 143.363333 143.375371 143.598119 143.656662 143.884142 143.954020 143.970832 144.039438 144.165849 144.203624 144.366900 144.367799 144.433938 144.498874 144.716620 144.750558 144.875977 144.936318 145.030056 145.373035 145.485546 145.847260 146.047918 146.236708 146.375173 146.440702 146.474061 146.596785 146.854752 146.973298 147.062611 147.119291 147.305063 147.353774 147.470297 147.762152 148.166548 148.310261 148.539773 148.590454 148.726459 149.042399 149.157217 149.213730 149.354021 149.733274 149.826677 149.829008 150.192573 150.329298 150.424418 150.460440 150.537846 150.778068 150.928749 151.034219 151.840194 152.365400 152.429381 152.670428 152.748584 153.105749 153.232179 153.455290 153.747361 153.868823 154.095774 154.228701 154.567191 154.573958 154.658411 154.752041 154.970654 155.062378 155.177608 155.494965 155.558851 155.676645 155.759273 155.770290 155.885410 155.959676 156.202723 156.394190 156.427259 156.567093 156.749377 156.945700 156.993565 157.659641 158.669283 158.929785 159.596174 159.650567 159.849696 160.148706 160.173184 160.302442 160.522648 160.737512 160.783839 161.092495 161.144300 161.164295 161.419657 161.517309 161.506483 161.833521 161.870089 161.970286 162.285797 162.299275 162.388461 162.546557 162.671922 162.802843 163.071041 163.253244 163.566741 163.715307 163.809505 164.128091 164.195881 164.326746 164.401994 164.702308 164.950300 164.991998 165.095324 165.245192 165.440102 165.779521 165.954989 166.045497 166.808921 166.895460 167.001825 167.564129 167.765107 167.909147 168.686055 170.102004 170.149106 170.855535 171.232562 171.323324 171.383335 172.126574 172.128784 172.613436 172.739327 173.209005 173.398641 174.069234 174.099271 174.127360 174.859850 175.161166 175.485623 175.537631 176.127431 176.244406 176.267623 176.396527 176.853299 177.033221 177.336409 177.648683 177.707739 178.467963 178.513149 178.673722 178.876356 179.377195 179.617844 179.855104 179.871880 180.142757 180.541239 180.563627 180.710812 181.519792 181.993524 182.185402 182.657491 182.680910 183.048037 183.692809 184.231815 184.466890 184.525445 185.078978 185.517557 186.244638 187.392501 187.784731 188.579139 188.762329 189.186533 189.438921 189.960300 190.221525 190.761386 192.310198 192.570750 193.184245 193.347011 195.719216 197.296085 331.508016 332.041218 333.893013 333.991061 334.605655 335.035142 367.913244 368.680116 486.063886 486.114600 486.133860 486.324798 486.348093 486.377732 486.403126 486.609705 486.660293 486.667860 486.745145 486.790690 486.863470 486.893455 486.911451 487.102188 487.354668 487.380527 487.488147 487.691294 488.701343 488.709402 488.759415 488.789601 488.890717 488.961898 489.030711 489.067074 489.136526 489.204085 489.207077 489.312166 489.327715 489.341597 489.350828 489.379505 489.470554 489.476872 489.479054 489.514312 489.568381 489.607683 489.626857 489.643706 489.728925 489.745789 489.791604 489.822245 489.840465 489.934758 490.053490 490.061145 490.166316 490.222987 490.277920 490.285720 490.393815 490.418639 490.485803 490.831099 491.609682 491.689641 491.850634 492.036783 492.107912 492.239833 492.303887 492.441777 492.464003 492.566838 492.635124 492.799136 492.918206 492.992429 493.100482 493.182448 493.457755 493.646035 493.773234 494.428586 495.337543 495.466562 495.695221 495.943628 496.069934 496.123037 496.184252 496.279136 496.337851 496.472036 496.600966 496.688647 496.720076 496.892570 496.947676 497.144388 497.216648 497.293529 497.329288 497.433433 497.449440 497.592126 497.691928 497.748580 497.782980 497.827859 497.838884 498.050283 498.102228 498.205505 498.335489 498.540717 498.571269 498.608797 498.656067 498.704009 499.050789 499.276098 499.360367 499.452741 499.832241 499.958754 500.096899 500.392156 500.437447 500.441413 500.472057 500.605711 500.643766 500.724738 500.727867 500.734836 500.793590 500.965491 501.122107 501.155031 501.181375 501.436681 501.582409 501.714082 943.158824 943.209603 943.670023 943.691929 944.907467 946.000165 947.162090 947.581802 947.906474 948.725854 950.035317 951.463335 952.674457 952.923558 953.498531 953.902211 954.490754 955.157022 956.344959 956.601503 956.667377 957.448470 957.942965 958.164410 958.457072 958.609097 959.278341 959.703216 959.762062 960.595717 960.999724 961.088857 961.792146 961.981493 962.422857 962.819196 962.914932 963.071857 963.913374 964.785358 964.889814 965.218256 966.132823 967.244023 967.584079 967.781022 968.578906 969.598084 969.980999 970.846399 972.303281 972.533953 972.767391 973.695436 973.907072 974.376085 974.894457 975.298500 975.642556 976.071290 976.141919 977.969166 978.382413 988.307289 990.100687 991.401155 991.582211 991.647954 992.553402 995.034028 995.867564 997.584287 998.255727 999.590262 1001.312419 1002.891457 1003.554565 1003.619728 1004.270746 83110.100778 83110.671674 83121.196985 83126.841397 83133.016740 83134.566440 83141.047933 83141.172109 83141.875608 83143.056885 83146.645865 83147.437152 83147.838952 83148.271578 83149.028600 83149.135908 83150.411113 83151.439750 83155.801992 83159.669586 -183.103459 -182.802541 -131.946487 -131.937185 -131.936145 -131.646464 -131.640181 -131.633623 -84.369921 -84.368656 -84.360160 -84.358503 -84.215260 -84.214872 -84.199246 -84.197594 -84.033113 -84.032617 -83.857812 -83.856137 -83.791125 -83.788493 -83.701014 -83.697690 -83.482828 -83.481789 -83.272378 -83.270946 -75.360559 -74.562595 -74.320686 -74.293861 -48.082100 -48.081713 -48.069732 -48.040616 -47.951536 -47.929797 -47.928243 -47.922625 -47.891467 -47.878626 -47.863786 -47.848495 -47.841088 -47.823691 -47.822626 -47.788328 -47.765377 -47.757338 -47.719922 -47.706046 -47.699426 -47.690626 -47.687235 -47.685598 -47.666011 -47.637667 -47.627880 -47.626586 -47.556939 -47.548050 -47.534521 -47.532501 -47.526250 -47.491220 -47.475724 -47.449205 -47.379063 -47.376109 -47.358547 -47.353616 -47.311701 -47.305565 -47.273943 -47.264698 -47.258866 -47.235143 -47.227825 -47.209014 -47.203952 -47.152065 -47.121326 -47.098146 -47.042180 -47.035842 -47.010998 -46.969499 -46.853356 -46.841646 -46.832875 -46.780754 -46.765721 -46.623593 -45.763648 -45.591223 -45.517700 -45.465663 -45.429536 -45.391465 -45.325121 -45.232552 -45.148849 -44.622518 -36.869722 -36.866472 -36.859614 -36.859447 -36.846112 -36.843544 -36.829116 -36.829005 -36.826508 -36.825975 -36.825838 -36.825728 -36.822237 -36.820231 -36.817513 -36.815689 -36.813440 -36.812192 -36.811011 -36.810911 -36.807006 -36.806162 -36.802706 -36.802509 -36.799373 -36.799198 -36.791938 -36.791928 -36.720294 -36.718282 -36.697344 -36.695404 -36.694425 -36.693674 -36.676242 -36.676180 -36.667685 -36.666991 -36.665994 -36.665915 -36.662807 -36.661797 -36.659078 -36.657973 -36.652573 -36.651861 -36.648616 -36.648231 -36.636818 -36.634510 -36.629300 -36.628518 -36.613374 -36.612021 -36.607667 -36.605700 -36.521031 -36.519237 -36.493200 -36.491498 -36.475795 -36.475639 -36.460130 -36.459009 -36.452903 -36.452526 -36.440451 -36.439078 -36.434463 -36.432771 -36.329771 -36.328873 -36.294098 -36.293103 -36.288605 -36.287648 -36.283831 -36.281013 -36.263283 -36.262373 -36.256145 -36.255826 -36.254987 -36.253397 -36.239165 -36.236652 -36.230189 -36.229413 -36.224296 -36.223475 -36.221783 -36.219400 -36.214582 -36.212231 -36.199883 -36.197306 -36.192928 -36.190394 -36.185542 -36.181537 -36.155518 -36.152378 -36.137166 -36.134223 -36.119575 -36.115706 -36.111735 -36.108944 -36.089667 -36.086793 -36.083696 -36.080360 -35.940065 -35.938103 -35.908021 -35.906170 -35.888658 -35.887533 -35.860653 -35.858971 -35.854381 -35.853194 -35.817948 -35.816382 -35.812008 -35.809693 -35.708141 -35.705372 -35.670092 -35.668475 -35.650841 -35.650001 -35.614914 -35.611955 -35.606913 -35.605995 -35.549421 -35.548313 -35.544507 -35.542030 -29.978880 -29.641483 -27.542830 -27.456350 -27.414321 -27.200218 -27.122158 -27.099661 -26.444191 -26.177529 -26.067436 -26.020760 -25.973273 -25.863936 -25.859847 -25.833063 -25.789659 -25.751207 -25.726601 -25.715986 -25.636829 -25.621162 -25.510129 -25.501898 -25.400056 -25.393820 -25.347757 -25.321968 -25.301053 -25.294432 -25.294191 -25.223685 -25.214560 -25.203280 -25.198646 -25.179013 -25.178670 -25.141704 -25.139397 -25.100615 -25.077781 -25.053418 -25.037486 -25.002861 -24.972356 -24.966650 -24.961869 -24.908047 -24.906697 -24.902183 -24.897592 -24.894989 -24.844183 -24.829624 -24.817607 -24.816964 -24.802627 -24.796844 -24.767313 -24.727489 -24.700709 -24.693995 -24.684456 -24.663531 -24.621757 -24.607258 -24.583111 -24.564964 -24.544347 -24.501488 -24.473009 -24.432139 -24.391099 -24.344638 -24.307874 -24.172974 -24.067844 -23.975282 -23.711847 -16.769436 -16.442908 -14.471258 -14.347142 -14.343685 -14.067754 -14.057067 -14.001982 -13.871955 -13.793956 -13.383573 -13.356336 -13.300976 -13.300015 -13.154108 -13.059682 -12.956304 -12.904907 -12.900972 -12.888838 -12.867740 -12.813606 -12.675513 -12.625452 -12.612751 -12.590714 -12.575048 -12.445543 -12.436744 -12.432063 -12.389937 -12.385541 -12.377564 -12.300360 -12.298869 -12.225981 -12.214004 -12.156327 -12.148051 -12.088945 -12.073244 -12.057515 -11.990825 -11.975398 -11.938316 -11.892801 -11.849132 -11.808328 -11.787266 -11.716317 -11.601151 -11.588341 -11.566404 -11.539180 -11.520599 -11.509380 -11.496152 -11.458124 -11.418895 -11.415204 -11.381753 -11.372551 -11.223625 -11.198060 -11.180850 -11.172549 -11.167819 -11.148333 -11.106533 -11.091307 -11.086764 -11.058698 -11.049887 -11.046381 -10.980222 -10.975454 -10.963891 -10.963088 -10.882926 -10.861743 -10.825533 -10.820674 -10.797195 -10.786682 -10.744756 -10.694424 -10.691742 -10.689783 -10.658045 -10.629768 -10.615369 -10.603080 -10.584000 -10.558854 -10.553843 -10.547348 -10.532648 -10.522261 -10.492687 -10.458187 -10.445870 -10.437439 -10.419771 -10.397883 -10.396251 -10.392369 -10.340104 -10.320058 -10.315860 -10.299279 -10.295987 -10.274527 -10.249731 -10.211191 -10.190106 -10.189633 -10.182871 -10.177766 -10.166643 -10.150170 -10.141784 -10.119499 -10.079904 -10.076561 -10.039229 -10.020955 -10.003155 -9.960306 -9.930650 -9.893467 -9.836109 -9.799574 -9.791140 -9.775781 -9.754692 -9.676415 -9.647624 -9.635182 -9.607526 -9.559991 -9.533649 -9.509204 -9.484592 -9.450428 -9.410374 -9.396096 -9.349562 -9.311634 -9.304882 -9.282452 -9.254252 -9.243136 -9.198683 -9.172974 -9.145644 -9.091491 -9.076075 -9.058302 -8.993912 -8.983277 -8.945047 -8.911149 -8.887066 -8.866666 -8.858617 -8.825776 -8.794146 -8.781219 -8.776859 -8.712391 -8.648976 -8.625352 -8.604637 -8.591575 -8.557567 -8.521575 -8.504879 -8.485558 -8.451328 -8.450577 -8.434247 -8.414583 -8.366040 -8.363994 -8.352022 -8.327728 -8.319426 -8.316171 -8.304720 -8.273106 -8.263432 -8.250465 -8.226941 -8.222678 -8.199698 -8.159055 -8.155386 -8.154080 -8.133042 -8.127093 -8.114233 -8.107808 -8.093065 -8.056730 -8.002617 -7.942922 -7.931572 -7.901037 -7.893398 -7.854827 -7.848471 -7.808677 -7.805334 -7.802425 -7.796881 -7.765081 -7.742819 -7.719119 -7.717246 -7.715517 -7.673928 -7.657714 -7.648130 -7.627366 -7.612844 -7.580845 -7.487170 -7.378561 -7.370167 -7.354249 -7.313933 -7.260425 -7.213666 -7.201446 -7.189935 -6.988915 -6.859808 -4.405483 -3.992587 -3.487108 -2.938846 -2.542827 -2.292444 -2.258628 -2.083443 -1.971694 -1.943732 -1.794886 -1.769867 -1.768125 -1.745144 -1.715459 -1.599172 -1.590554 -1.550518 -1.543986 -1.404832 -1.394889 -1.360559 -1.340163 -1.326865 -1.314217 -1.291686 -1.285222 -1.271891 -1.254674 -1.201861 -1.188973 -1.055245 -1.030539 -1.016973 -0.987930 -0.978695 -0.888308 -0.851891 -0.803214 -0.749838 -0.738555 -0.717471 -0.708921 -0.518329 -0.513053 -0.487669 -0.478016 -0.464579 -0.423802 -0.422138 -0.373287 -0.300204 -0.289582 -0.283317 -0.261267 -0.232142 -0.159670 -0.139356 -0.125840 -0.052310 0.036321 0.073723 0.086458 0.131006 0.174364 0.231533 0.237529 0.277273 0.293758 0.365565 0.422387 0.561671 0.602351 0.623201 0.703188 0.816978 0.880703 0.928538 0.986019 0.987264 1.025174 1.145221 1.161567 1.221418 1.248957 1.278043 1.313674 1.347508 1.382427 1.396574 1.489771 1.529934 1.557587 1.616827 1.622891 1.688065 1.769770 1.777956 1.803939 1.818488 1.860337 1.876038 1.976798 1.990019 1.996702 2.084590 2.104443 2.147418 2.161333 2.205651 2.217166 2.233023 2.326166 2.373424 2.406258 2.472073 2.524048 2.574727 2.592502 2.727645 2.733366 2.749792 2.887289 2.937668 2.997579 3.010227 3.097377 3.230637 3.275829 3.354358 3.410863 3.508460 3.783658 3.875682 3.893438 4.038511 4.046645 4.106611 4.175880 4.236865 4.245070 4.327643 4.339158 4.345253 4.359242 4.412909 4.457203 4.521991 4.566512 4.606329 4.656477 4.670888 4.689693 4.694929 4.747042 4.790897 4.809119 4.859014 4.945001 4.957851 4.995403 5.087252 5.151125 5.158527 5.193748 5.207247 5.241222 5.246762 5.283644 5.302065 5.413729 5.428793 5.505441 5.648040 5.662646 5.742167 5.863902 5.907273 5.919518 5.953727 5.987156 6.017067 6.054787 6.088049 6.090507 6.112250 6.186876 6.232259 6.246562 6.263418 6.278903 6.310855 6.343373 6.389114 6.417011 6.473132 6.526505 6.586186 6.664216 6.701518 6.733480 6.772618 6.849458 6.875528 6.933901 6.970234 7.007984 7.061317 7.189427 7.191731 7.295815 7.312183 7.317222 7.413648 7.510599 7.519439 7.552058 7.579630 7.597290 7.598950 7.621667 7.695927 7.709323 7.771309 7.870417 7.912143 7.916114 8.000995 8.062142 8.117855 8.144000 8.203955 8.247597 8.314538 8.357756 8.399327 8.423018 8.454079 8.454980 8.508902 8.551727 8.598673 8.625419 8.626408 8.685340 8.689795 8.705681 8.798284 8.801604 8.845967 8.868605 8.903294 8.962121 9.022979 9.053119 9.151315 9.187603 9.201941 9.217583 9.411846 9.416178 9.447159 9.493023 9.498673 9.544957 9.611169 9.644798 9.654471 9.734263 9.750975 9.881836 9.964418 10.006616 10.026656 10.092890 10.116744 10.161631 10.230870 10.277590 10.292337 10.303515 10.325399 10.354683 10.393157 10.403841 10.444631 10.481639 10.550031 10.601637 10.609216 10.709419 10.747529 10.777550 10.780188 10.883771 10.939281 10.974678 11.085124 11.092168 11.210532 11.332345 11.348656 11.355650 11.471997 11.491988 11.608475 11.643116 11.655007 11.729498 11.744737 11.745159 11.777826 11.830573 11.941466 11.972902 12.004618 12.063060 12.099913 12.141532 12.147227 12.185853 12.194240 12.249838 12.272089 12.374150 12.404692 12.407476 12.410351 12.454680 12.482017 12.515713 12.560205 12.578787 12.730020 12.746148 12.750561 12.824347 12.863387 12.939872 12.974495 12.986131 13.060717 13.117039 13.131873 13.213681 13.259502 13.262343 13.330313 13.374585 13.389943 13.433979 13.463019 13.513519 13.534294 13.568719 13.673197 13.807824 13.839682 13.873412 13.932133 13.937915 14.082940 14.121333 14.157597 14.267279 14.283292 14.344439 14.381601 14.497236 14.513415 14.621107 14.745359 14.809183 14.849635 14.984922 14.985716 15.049794 15.086260 15.188405 15.234853 15.290305 15.631775 15.657648 15.720052 15.846915 15.946651 16.000346 16.029243 16.081507 16.122480 16.322199 16.408593 16.568649 16.572399 16.997028 17.075155 17.128434 17.278078 17.333385 17.422908 17.533583 17.648455 17.725066 18.093047 18.262549 18.263784 18.367762 18.526130 18.620710 18.681703 18.745027 18.862170 18.894554 18.935986 18.955571 18.999567 19.033666 19.084552 19.133630 19.201752 19.206824 19.226571 19.295291 19.338881 19.388127 19.405247 19.494274 19.503831 19.557302 19.662659 19.671599 19.724588 19.732441 19.769494 19.785292 19.915932 19.930124 19.981918 20.011165 20.058398 20.133365 20.207246 20.280517 20.291175 20.382055 20.428529 20.452642 20.594691 20.680545 20.818289 21.004930 21.018020 21.112224 21.128955 21.196377 21.226448 21.311032 21.350493 21.360166 21.405674 21.437502 21.471846 21.477611 21.482471 21.622435 21.658448 21.665022 21.718086 21.746314 21.758227 21.829607 21.876703 21.926647 21.972181 21.996947 22.052717 22.103465 22.176745 22.231920 22.250137 22.311893 22.346285 22.356750 22.422402 22.430255 22.506738 22.529060 22.578978 22.579763 22.599814 22.738612 22.754063 22.785295 22.842558 22.917286 22.979938 23.100247 23.137596 23.243738 23.289715 23.426189 23.480389 23.506586 23.536380 23.571459 23.659208 23.680549 23.749928 23.778674 23.900599 23.925716 23.956445 24.047379 24.152943 24.196840 24.370002 24.394826 24.445102 24.521891 24.545125 24.645759 24.664001 24.719701 24.735998 24.832982 24.886114 24.938538 24.997221 25.047329 25.047887 25.153912 25.234482 25.248356 25.292421 25.330062 25.385764 25.449094 25.465835 25.523583 25.693091 25.699661 25.777781 25.864688 25.930260 26.046981 26.137418 26.202476 26.274964 26.337727 26.373033 26.416060 26.585732 26.697270 26.719999 26.724604 26.796137 26.917599 27.103793 27.156980 27.197690 27.312087 27.315992 27.389746 27.563797 27.619925 27.726189 27.729042 27.807706 27.846036 27.871478 27.900101 27.979399 28.037132 28.073496 28.158173 28.229415 28.233254 28.257347 28.279128 28.309403 28.359978 28.401762 28.465477 28.543959 28.556250 28.559127 28.590132 28.628104 28.726307 28.859028 28.862060 28.893665 28.985969 29.031726 29.036766 29.078338 29.143488 29.231150 29.258882 29.382247 29.444223 29.467073 29.471252 29.532920 29.654218 29.697638 29.726877 29.813762 29.820134 29.824432 29.833806 29.857956 29.966584 30.031412 30.092276 30.126557 30.156475 30.200141 30.210884 30.274075 30.349680 30.381277 30.450556 30.534276 30.612412 30.620227 30.671802 30.712260 30.746199 30.750384 30.827949 30.889186 30.924857 30.964355 30.975996 31.047456 31.058827 31.085537 31.187059 31.296473 31.307710 31.325713 31.392539 31.426163 31.442943 31.503229 31.551867 31.582084 31.657644 31.666790 31.680071 31.695788 31.784646 31.804528 31.822710 31.845262 31.881659 31.903553 31.980426 32.013817 32.072998 32.078895 32.110142 32.140986 32.182063 32.244811 32.277518 32.283259 32.418386 32.423601 32.518845 32.525210 32.557204 32.613290 32.666551 32.710484 32.768143 32.832108 32.892213 32.976245 32.976386 33.043410 33.092691 33.146842 33.170801 33.297976 33.313829 33.345337 33.351106 33.378756 33.420061 33.463414 33.487869 33.520516 33.601920 33.682142 33.688486 33.721096 33.777137 33.838879 33.925639 33.950057 34.011833 34.043637 34.077016 34.093056 34.124921 34.158742 34.182729 34.272238 34.309388 34.326407 34.364670 34.373232 34.423241 34.456647 34.512243 34.564878 34.616591 34.653770 34.654520 34.664025 34.692231 34.739674 34.775766 34.776719 34.828983 34.833916 34.851077 34.856106 34.918015 34.997114 35.018221 35.057390 35.074906 35.109929 35.151298 35.207298 35.227709 35.283534 35.318207 35.323058 35.338581 35.375943 35.377229 35.396819 35.492572 35.547864 35.556253 35.578892 35.666105 35.672392 35.683447 35.714146 35.736775 35.772895 35.783550 35.821988 35.869581 35.887973 35.907423 35.920264 35.976170 36.031363 36.043871 36.107089 36.167269 36.174094 36.186496 36.207555 36.247338 36.336968 36.350702 36.359601 36.378382 36.386203 36.404376 36.423588 36.507025 36.511865 36.547220 36.586150 36.629223 36.656510 36.701955 36.726718 36.735773 36.809412 36.824723 36.896975 36.940256 37.032912 37.044378 37.059325 37.115569 37.162574 37.221505 37.294159 37.307417 37.310010 37.413917 37.438237 37.460235 37.469181 37.501079 37.512938 37.580387 37.652234 37.658607 37.760065 37.829998 37.845566 37.851689 37.859900 37.921753 37.936328 37.979592 38.031267 38.170129 38.201807 38.232102 38.237240 38.316433 38.341022 38.342327 38.388016 38.423975 38.516439 38.554521 38.573967 38.618388 38.658295 38.668879 38.700242 38.728054 38.739684 38.801128 38.845239 38.881133 38.953149 38.994185 39.008505 39.067501 39.075061 39.091522 39.154877 39.188381 39.212195 39.250694 39.281985 39.397000 39.420686 39.470563 39.495093 39.595955 39.602220 39.606949 39.626688 39.685838 39.719960 39.748418 39.748604 39.842705 39.856286 39.892233 39.936544 39.979439 40.010592 40.092997 40.174343 40.187314 40.238322 40.312119 40.410692 40.443670 40.467470 40.469955 40.583998 40.733093 40.750715 40.779350 40.819178 40.832961 40.904026 40.914555 41.070165 41.119320 41.284617 41.320025 41.326897 41.385400 41.492309 41.531716 41.611112 41.649299 41.661781 41.753508 41.862684 41.878984 42.003000 42.018890 42.069435 42.116150 42.128608 42.170036 42.244316 42.270312 42.302780 42.377656 42.440097 42.483651 42.512593 42.610553 42.682640 42.738779 42.780942 42.809037 42.913943 42.925786 42.944019 43.008982 43.031595 43.037736 43.117221 43.151344 43.234109 43.315554 43.318424 43.365076 43.480403 43.677279 43.711815 43.718194 43.782163 43.809475 43.864605 43.933378 44.026601 44.107523 44.177158 44.221883 44.375432 44.432851 44.468683 44.502957 44.628206 44.685722 44.785845 44.840423 44.908216 45.028346 45.101799 45.194397 45.299673 45.309268 45.499627 45.585865 45.828988 45.852681 45.912125 45.942588 46.031680 46.087446 46.126957 46.183694 46.191450 46.215382 46.271942 46.308647 46.377108 46.400360 46.438070 46.445270 46.577446 46.608057 46.742017 46.787226 46.802028 46.852020 46.895940 46.966805 47.055844 47.081920 47.139573 47.265706 47.332742 47.381424 47.398011 47.493648 47.551807 47.667691 47.728443 47.762286 47.801825 47.823340 47.956836 48.146670 48.185883 48.203652 48.282386 48.326562 48.328254 48.352184 48.522699 48.546169 48.628089 48.640372 48.730374 48.855762 48.859338 48.937517 48.949860 48.975925 49.039092 49.087265 49.128583 49.203602 49.291112 49.375997 49.479908 49.494252 49.556287 49.569130 49.737713 49.828401 49.973809 50.121666 50.195103 50.231812 50.466110 50.466476 50.555949 50.614118 50.654035 50.904000 50.986269 51.008721 51.113171 51.226248 51.260801 51.407071 51.496430 51.561807 51.677381 51.695871 51.764713 51.892669 51.915585 52.028997 52.080932 52.176001 52.250213 52.288555 52.341421 52.481396 52.539051 52.599042 52.620826 52.621797 52.906091 52.977242 53.086964 53.136541 53.150690 53.155773 53.230890 53.278156 53.293385 53.347659 53.529550 53.584423 53.636593 53.664856 53.679186 53.739276 53.787184 53.880240 53.957397 54.083625 54.094915 54.171751 54.263019 54.364872 54.406907 54.435945 54.680605 54.826983 54.890447 54.892373 55.079915 55.115654 55.126304 55.355534 55.401079 55.430915 55.517168 55.565942 55.784670 55.875008 55.939560 56.050948 56.112421 56.186970 56.205914 56.293635 56.301582 56.382835 56.485208 56.543736 56.633667 56.677544 56.684404 56.767079 56.854415 56.940036 56.955820 57.005102 57.180884 57.206899 57.238196 57.293735 57.371840 57.479459 57.493168 57.698367 57.728739 57.741943 57.864605 57.882232 57.904235 57.954356 58.024105 58.075429 58.111969 58.286891 58.329968 58.341105 58.380350 58.428756 58.579277 58.653648 58.668728 58.763939 58.846409 58.870091 58.925969 58.978463 59.164213 59.200159 59.329656 59.391411 59.443739 59.471506 59.566268 59.697786 59.735322 59.760095 59.850320 59.973542 60.000412 60.069159 60.087503 60.124210 60.166824 60.259934 60.306277 60.319944 60.364911 60.542836 60.596514 60.626106 60.648195 60.717045 60.726332 60.822740 60.961287 60.988470 61.063595 61.072280 61.126813 61.173104 61.181017 61.211784 61.273185 61.396484 61.432325 61.490129 61.628259 61.707315 61.882793 61.898988 61.976031 62.046663 62.371926 62.400235 62.454604 62.598035 62.749431 62.813394 62.867582 62.983086 63.085320 63.224106 63.438761 63.533778 63.600241 63.754358 63.761258 63.819624 63.839812 64.023770 64.085274 64.113172 64.206865 64.226692 64.415811 64.419567 64.550393 64.584529 64.615951 64.746851 64.768968 64.796265 64.805329 65.035852 65.053241 65.162377 65.291375 65.436391 65.490044 65.595927 65.673944 65.765173 65.872638 65.992713 66.138140 66.192582 66.205860 66.235483 66.361844 66.446485 66.531270 66.597692 66.612190 66.705693 66.853085 67.050629 67.057996 67.274154 67.321169 67.393887 67.458295 67.477909 67.625080 67.673465 67.863586 67.977926 68.025826 68.085580 68.137922 68.256850 68.300744 68.345718 68.447269 68.618273 68.813647 68.845162 68.854324 68.927346 69.035096 69.080631 69.082637 69.168800 69.213031 69.266919 69.313204 69.356566 69.362102 69.623736 69.625269 69.667210 69.683359 69.876903 69.883623 70.062983 70.117158 70.123479 70.135193 70.191094 70.616477 70.641994 70.757758 70.780517 70.842557 71.205702 71.293997 71.309813 71.413912 71.553379 71.711345 71.760885 71.776932 71.823066 71.949759 71.971669 71.991088 72.068798 72.076950 72.102853 72.224304 72.230914 72.281743 72.324825 72.379062 72.409624 72.434036 72.439761 72.461027 72.472332 72.502314 72.612060 72.645042 72.659159 72.683393 72.691790 72.744108 72.763733 72.824573 72.854111 72.855197 72.913636 72.964975 73.015580 73.060354 73.077643 73.136987 73.249619 73.280622 73.374280 73.498775 73.586050 73.688268 73.844957 73.858999 74.058172 74.231755 74.243267 74.407408 74.670260 74.953047 75.260871 76.028004 76.391150 76.657692 76.836334 78.151100 81.815555 81.872959 82.070867 82.213712 82.772642 82.941935 82.969167 82.995218 83.189357 83.497497 83.667882 83.729141 84.012763 84.103005 84.142108 84.176908 84.201776 84.462748 84.575476 84.678908 84.699843 84.751373 84.797020 85.031416 85.038499 85.075624 85.126141 85.261889 85.493390 85.585462 85.717971 85.751409 85.777812 85.837665 86.029529 86.148105 86.165721 86.232537 86.262880 86.368118 86.415856 86.519866 86.606445 86.902183 86.928034 86.974760 87.069953 87.207297 87.213599 87.471428 87.501695 87.568346 87.665802 87.711094 87.746299 87.946921 88.016553 88.203921 88.242115 88.503758 88.513000 88.579624 88.680316 89.059637 89.115235 89.120485 89.586176 89.619207 89.694017 90.073721 90.200645 90.261819 90.381099 90.782360 90.859776 91.080195 91.144449 91.390950 91.503884 91.944641 92.036184 92.206971 92.344752 92.520342 92.772232 92.782421 92.861576 92.996934 92.999193 93.193862 93.197563 93.587707 94.393238 94.594280 94.948336 95.118955 95.156363 95.176287 95.617492 95.711827 95.827000 95.861365 96.056526 96.161655 96.215514 96.591960 96.778996 96.814248 96.848949 96.994939 97.658255 97.797025 97.907155 97.954712 98.315907 98.690680 98.960729 108.110739 108.311087 108.465096 108.639324 108.844392 108.904940 108.991210 109.126091 109.303906 109.340633 109.545755 109.558004 109.660405 109.887187 110.076314 110.183375 110.581542 110.885016 111.453205 112.020591 112.185997 112.321649 112.698663 112.965829 126.690658 126.898546 127.325398 127.550075 127.850040 128.014818 128.054308 128.515990 129.083740 129.245611 129.579737 129.591716 129.740517 129.963709 130.010353 130.218568 130.233460 130.444676 130.531281 130.593493 130.910655 131.056891 131.216918 131.268629 131.362980 131.845054 132.668146 132.789033 133.068382 133.151435 133.175211 133.324072 133.519976 133.612029 133.674845 133.752814 133.807754 134.111393 134.241394 134.307429 134.327627 134.481654 134.542058 134.710679 134.801626 134.831490 135.163643 135.251725 135.378643 135.400099 135.766939 135.839104 135.844251 136.303899 136.331852 136.497701 136.557521 136.705634 136.905282 137.147811 137.183236 137.607531 137.767142 137.880837 138.048479 138.614432 138.658488 138.909573 138.954669 139.025160 139.381536 139.529344 139.533615 140.092948 140.141019 140.423257 140.636238 140.639243 140.944231 141.014744 141.311398 141.582847 141.617182 141.761833 141.767495 141.860235 142.084535 142.214597 142.394749 142.468042 142.527664 142.573913 142.614298 142.643730 142.882036 142.961981 143.148308 143.184215 143.264238 143.417768 143.482891 143.526338 143.674645 143.733112 143.977269 144.049648 144.127585 144.135807 144.234132 144.280328 144.443370 144.499085 144.518076 144.596582 144.827703 144.853184 144.956149 145.013990 145.105721 145.456743 145.610943 146.061639 146.193121 146.351321 146.497206 146.587390 146.618242 146.706526 147.002417 147.079068 147.177562 147.245440 147.441656 147.474109 147.553998 147.875056 148.283310 148.430038 148.655191 148.678749 148.882862 149.137728 149.281656 149.464068 149.477201 149.823776 149.933211 149.938551 150.283324 150.429270 150.563860 150.574187 150.657781 150.884448 151.037949 151.151234 151.981996 152.490408 152.725501 152.814995 153.072943 153.199777 153.470367 153.627418 153.893333 153.998645 154.216603 154.368839 154.777670 154.850422 154.854883 154.978464 155.141712 155.242677 155.333633 155.658007 155.679324 155.850663 155.934051 155.939539 156.030054 156.183125 156.416808 156.515642 156.646457 156.711775 156.916433 157.061572 157.238555 158.004119 158.905926 159.190390 159.803039 159.926008 159.999277 160.251187 160.490058 160.587178 160.770291 160.952997 161.010310 161.227888 161.320855 161.400331 161.633528 161.693637 161.735912 161.945610 162.138826 162.209437 162.418882 162.480944 162.536200 162.748829 162.898515 163.117213 163.350548 163.397373 163.693058 163.836684 163.994370 164.290787 164.418347 164.429398 164.559604 164.873752 165.120450 165.126254 165.370072 165.443639 165.587872 165.999434 166.154705 166.173615 166.992803 167.063956 167.150280 167.759921 167.883776 168.100522 168.877520 170.205017 170.270473 170.964002 171.313257 171.405415 171.528887 172.214713 172.226740 172.695560 172.824400 173.293878 173.474810 174.153974 174.180391 174.231700 175.005161 175.266214 175.575294 175.633939 176.212959 176.340150 176.369362 176.509358 176.951807 177.140588 177.443124 177.740798 177.805837 178.550873 178.604017 178.779217 178.975028 179.498377 179.727620 179.959885 179.971298 180.231848 180.624699 180.670465 180.804336 181.665860 182.090602 182.280573 182.744684 182.799852 183.137721 183.780966 184.320305 184.610021 184.616256 185.164042 185.626599 186.348286 187.483879 187.888055 188.671625 188.879745 189.309758 189.544347 190.057842 190.322771 190.873355 192.417752 192.679044 193.282437 193.444934 195.821696 197.400374 331.870582 332.399827 334.254524 334.352378 334.967467 335.398501 368.442133 369.210552 487.251260 487.295942 487.315550 487.513310 487.531640 487.559720 487.589808 487.789740 487.830210 487.838285 487.927022 487.973071 488.038415 488.070831 488.088181 488.279813 488.518874 488.544346 488.635002 488.837844 489.893602 489.900693 489.950460 489.978547 490.081217 490.153475 490.222185 490.260122 490.330315 490.392629 490.396584 490.500426 490.504791 490.527855 490.531436 490.563207 490.657627 490.663037 490.666755 490.706705 490.745983 490.790178 490.820151 490.826503 490.913571 490.934717 490.981129 491.006648 491.028881 491.112285 491.229040 491.241014 491.347496 491.398847 491.441764 491.445718 491.551484 491.593229 491.656795 491.988039 492.809114 492.889682 493.051664 493.238971 493.310253 493.437905 493.502417 493.642079 493.666916 493.770775 493.838085 494.002452 494.119527 494.194360 494.302141 494.385070 494.663423 494.848630 494.974230 495.632721 496.544397 496.675068 496.905007 497.154760 497.273786 497.334081 497.387743 497.489273 497.547700 497.677075 497.809185 497.902843 497.915914 498.095408 498.160315 498.359566 498.430592 498.500839 498.544011 498.640060 498.662849 498.794224 498.906984 498.962400 498.989691 499.042140 499.055046 499.257912 499.317903 499.415586 499.544662 499.750210 499.782847 499.825132 499.868969 499.918629 500.253608 500.479032 500.570324 500.664166 501.052164 501.179218 501.319759 501.614352 501.660111 501.661499 501.694621 501.821092 501.864382 501.941572 501.948252 501.955496 502.014643 502.186917 502.340512 502.369102 502.398800 502.652256 502.792262 502.923969 945.497711 945.532390 945.993387 946.025840 947.247609 948.337179 949.501799 949.921415 950.251236 951.070123 952.412054 953.815001 955.035247 955.279058 955.865188 956.263446 956.890074 957.536954 958.713634 958.980992 959.041537 959.817698 960.314782 960.548435 960.822701 960.993863 961.660276 962.089696 962.143068 962.988746 963.402909 963.487522 964.181045 964.374346 964.806617 965.229808 965.314771 965.459420 966.301269 967.221604 967.319860 967.641359 968.547257 969.672079 969.999326 970.224842 971.001629 972.021050 972.409417 973.285659 974.750987 974.967805 975.201575 976.131556 976.350934 976.822985 977.339063 977.731753 978.088684 978.516077 978.576993 980.421582 980.827734 990.819002 992.597466 993.914273 994.083845 994.164297 995.055275 997.567104 998.395082 1000.131932 1000.787022 1002.141384 1003.853079 1005.439239 1006.101580 1006.169775 1006.820129 105368.944233 105369.679600 105384.574149 105392.536441 105401.297546 105403.424688 105412.625803 105412.821743 105413.758012 105415.430559 105420.553450 105421.666290 105422.151664 105422.842073 105423.834892 105423.989127 105425.867136 105427.293113 105433.458787 105438.913657</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="5226">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A</array>
                     <array dataType="xsd:string" dictRef="cc:spin" size="5226">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-44.94214990</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-1222.938773</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-14</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000138272</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00101288984147</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00040250801748</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="107">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="107">W W W W W O O Tc O Tc O P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W Tc W W O O W O W W W W W W W W W W O O O O O O O Tc O O O O O O O O O P O O O O O O O O O H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="107">2.7207 2.6330 2.6956 2.6638 2.6778 -0.9269 -0.9127 2.1119 -1.1258 1.9221 -1.0928 2.6173 -1.0644 -1.0681 -1.0871 -1.0827 -1.0727 -1.0620 -0.8828 -1.0527 -1.0712 -1.0545 -1.0771 -1.0325 -1.0723 -1.1030 -0.8759 -1.1609 -1.0685 -0.8997 -1.0273 -0.8860 -1.0684 -1.1174 -0.8734 -0.9143 -0.8766 -0.9219 -1.0369 -1.1174 -1.0595 -1.0273 -0.9216 -1.0459 -1.0496 -0.9057 -1.0763 -1.0644 -1.0871 -1.0726 -0.9056 -0.8827 -1.0527 -1.0712 -1.0545 -0.8997 -0.8859 -0.8734 -0.8765 2.6734 2.6314 2.1236 2.6202 2.6641 -1.1200 -1.0993 2.5569 -1.1018 2.6733 2.6310 2.6204 2.7206 2.6329 2.6955 2.6639 2.6779 2.6645 2.5568 -1.0697 -1.1017 -1.0802 -0.9348 -1.0929 -1.0594 -1.0459 2.0278 -1.0492 -1.0762 -0.9458 -1.0925 -1.0796 -1.0754 -0.9348 -0.9457 -1.1199 2.6022 -1.0696 -0.9140 -1.0734 -1.0753 -1.0372 -1.1526 -1.0771 -1.0325 -1.0801 0.2792 0.2769</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="107">-0.0378 -0.0468 0.0253 -0.0515 0.0255 0.0443 0.0591 2.0497 -0.0025 3.6373 -0.0215 0.0190 -0.0045 0.0214 -0.0037 -0.0136 -0.0024 0.0201 0.0170 0.0092 0.0101 -0.0034 0.0227 0.0302 -0.0101 0.0311 0.1392 -0.0054 0.0247 0.0204 0.0298 0.0097 0.0246 0.0001 0.0027 0.0089 0.0078 0.0083 0.0068 0.0001 0.0338 0.0298 0.0081 0.0273 0.0014 0.0105 0.0038 -0.0045 -0.0037 -0.0024 0.0105 0.0169 0.0092 0.0101 -0.0034 0.0204 0.0097 0.0027 0.0078 -0.1475 -0.0717 2.1730 -0.1929 -0.0277 0.0009 0.0112 -0.3069 -0.0026 -0.1472 -0.0713 -0.1934 -0.0379 -0.0471 0.0253 -0.0515 0.0255 -0.0282 -0.3063 0.0078 -0.0026 0.0293 0.0274 -0.0215 0.0338 0.0273 0.8667 0.0022 0.0037 0.0250 0.0024 -0.0051 -0.0315 0.0274 0.0250 0.0009 0.0042 0.0077 0.0085 -0.0014 -0.0315 0.0060 -0.0063 0.0227 0.0303 0.0293 0.0071 0.0115</array>
                        <array dataType="xsd:string" dictRef="a:spin" size="214">A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="214">1.0290 1.0304 1.0371 1.0387 1.0307 1.0310 1.0314 1.0336 1.0353 1.0343 0.9459 0.9441 0.9457 0.9443 1.0037 0.9677 0.9532 0.9533 1.1110 0.9948 0.9727 0.9730 1.2122 1.2092 0.9704 0.9704 0.9762 0.9757 0.9741 0.9743 0.9736 0.9738 0.9747 0.9747 0.9700 0.9695 0.9885 0.9881 0.9709 0.9704 0.9755 0.9750 0.9708 0.9708 0.9731 0.9752 0.9764 0.9768 0.9693 0.9696 0.9542 0.9490 0.9937 0.9892 0.9566 0.9571 0.9767 0.9778 0.9874 0.9869 0.9738 0.9746 0.9883 0.9881 0.9767 0.9778 0.9539 0.9539 0.9891 0.9890 0.9862 0.9861 0.9889 0.9887 0.9858 0.9856 0.9735 0.9737 0.9539 0.9539 0.9703 0.9679 0.9738 0.9746 0.9859 0.9857 0.9719 0.9723 0.9755 0.9760 0.9869 0.9866 0.9724 0.9732 0.9704 0.9704 0.9741 0.9743 0.9747 0.9747 0.9869 0.9866 0.9885 0.9881 0.9709 0.9704 0.9755 0.9750 0.9708 0.9708 0.9874 0.9869 0.9883 0.9881 0.9891 0.9890 0.9889 0.9887 1.0286 1.0336 1.0334 1.0362 1.0045 0.9660 1.0291 1.0365 1.0314 1.0327 0.9537 0.9537 0.9717 0.9701 1.0325 1.0437 0.9726 0.9723 1.0286 1.0336 1.0334 1.0363 1.0291 1.0365 1.0290 1.0304 1.0371 1.0388 1.0307 1.0310 1.0313 1.0336 1.0353 1.0343 1.0314 1.0327 1.0325 1.0438 0.9693 0.9679 0.9727 0.9723 0.9744 0.9727 0.9849 0.9842 0.9727 0.9731 0.9703 0.9679 0.9719 0.9723 1.0132 0.9977 0.9754 0.9760 0.9724 0.9732 0.9845 0.9838 0.9728 0.9724 0.9684 0.9680 0.9681 0.9683 0.9849 0.9842 0.9845 0.9838 0.9537 0.9537 1.2129 1.2128 0.9693 0.9679 0.9863 0.9861 0.9684 0.9683 0.9681 0.9683 0.9736 0.9738 0.9568 0.9575 0.9731 0.9752 0.9764 0.9768 0.9744 0.9727 0.3093 0.3027 0.3119 0.3018</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="214">3.0412 3.0428 3.0539 3.0558 3.0486 3.0459 3.0458 3.0479 3.0546 3.0517 2.5209 2.4831 2.5221 2.4684 3.0328 2.9958 2.5887 2.5917 3.0780 2.9992 2.5480 2.5690 3.5782 3.5643 2.5459 2.5503 2.5532 2.5322 2.5535 2.5569 2.5463 2.5597 2.5454 2.5478 2.5570 2.5374 2.4434 2.4265 2.5458 2.5363 2.5498 2.5394 2.5404 2.5439 2.5584 2.5399 2.5366 2.5068 2.5477 2.5573 2.5915 2.5684 2.4997 2.3662 2.5989 2.6069 2.5521 2.5309 2.4551 2.4348 2.5350 2.5068 2.4414 2.4318 2.5520 2.5308 2.5855 2.5853 2.4307 2.4280 2.4579 2.4490 2.4351 2.4274 2.4618 2.4536 2.5301 2.5240 2.5855 2.5854 2.5626 2.5278 2.5350 2.5068 2.4615 2.4535 2.5453 2.5194 2.5323 2.5306 2.4533 2.4429 2.5498 2.5458 2.5459 2.5503 2.5535 2.5569 2.5454 2.5478 2.4532 2.4428 2.4434 2.4265 2.5458 2.5363 2.5498 2.5394 2.5404 2.5439 2.4551 2.4348 2.4414 2.4318 2.4307 2.4280 2.4351 2.4274 3.0407 3.0470 3.0518 3.0550 3.0460 3.0155 3.0424 3.0488 3.0475 3.0486 2.5873 2.5864 2.5698 2.5573 3.0459 3.0558 2.5633 2.5652 3.0407 3.0470 3.0519 3.0551 3.0423 3.0487 3.0412 3.0428 3.0539 3.0559 3.0486 3.0460 3.0458 3.0478 3.0545 3.0517 3.0475 3.0485 3.0460 3.0559 2.5564 2.5475 2.5633 2.5651 2.5655 2.5352 2.4791 2.4519 2.5480 2.5690 2.5625 2.5278 2.5453 2.5194 3.0560 3.0483 2.5326 2.5300 2.5498 2.5458 2.4837 2.4590 2.5602 2.5570 2.5552 2.5592 2.5398 2.5707 2.4791 2.4519 2.4837 2.4589 2.5873 2.5863 3.5806 3.5771 2.5563 2.5474 2.4575 2.4490 2.5536 2.5545 2.5398 2.5707 2.5299 2.5244 2.5949 2.6030 2.5583 2.5399 2.5366 2.5068 2.5654 2.5352 0.0547 0.0541 0.0554 0.0541</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="214">1.5349 1.5698 1.5540 1.5973 1.5700 1.5472 1.5499 1.5971 1.5686 1.5469 0.0187 0.0141 0.0181 0.0141 3.4324 1.4556 0.0197 0.0191 4.1686 0.7264 0.0149 0.0151 0.4104 0.4083 0.0136 0.0137 0.0153 0.0154 0.0141 0.0143 0.0147 0.0147 0.0150 0.0150 0.0141 0.0141 0.0180 0.0182 0.0142 0.0150 0.0153 0.0161 0.0143 0.0143 0.0184 0.0121 0.0183 0.0175 0.0141 0.0143 0.0213 0.0185 0.0142 0.0129 0.0223 0.0191 0.0178 0.0133 0.0176 0.0179 0.0198 0.0174 0.0181 0.0182 0.0178 0.0133 0.0194 0.0194 0.0183 0.0184 0.0175 0.0176 0.0182 0.0183 0.0175 0.0176 0.0182 0.0173 0.0194 0.0194 0.0138 0.0172 0.0198 0.0174 0.0175 0.0176 0.0193 0.0176 0.0177 0.0175 0.0179 0.0181 0.0178 0.0173 0.0136 0.0137 0.0141 0.0142 0.0150 0.0150 0.0179 0.0181 0.0180 0.0182 0.0142 0.0150 0.0153 0.0161 0.0143 0.0143 0.0176 0.0179 0.0181 0.0182 0.0183 0.0184 0.0182 0.0183 1.5049 1.6409 1.5477 1.6132 3.4742 1.3701 1.5067 1.6858 1.5595 1.5849 0.0195 0.0195 0.0138 0.0166 1.4747 1.7603 0.0136 0.0147 1.5050 1.6407 1.5480 1.6131 1.5065 1.6861 1.5349 1.5698 1.5539 1.5974 1.5700 1.5472 1.5498 1.5971 1.5686 1.5469 1.5592 1.5850 1.4749 1.7600 0.0131 0.0156 0.0136 0.0147 0.0148 0.0175 0.0171 0.0176 0.0149 0.0151 0.0138 0.0172 0.0193 0.0176 2.8502 2.0067 0.0177 0.0175 0.0178 0.0173 0.0171 0.0176 0.0145 0.0157 0.0136 0.0151 0.0140 0.0144 0.0171 0.0176 0.0171 0.0176 0.0195 0.0195 0.4075 0.4069 0.0131 0.0156 0.0175 0.0176 0.0139 0.0145 0.0140 0.0144 0.0181 0.0174 0.0215 0.0190 0.0184 0.0121 0.0183 0.0175 0.0148 0.0175 0.0000 0.0000 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="214">7.0156 7.0156 7.0151 7.0151 7.0156 7.0154 7.0153 7.0152 7.0154 7.0153 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7.0154 7.0156 7.0156 7.0157 0.0000 0.0000 7.0153 7.0152 7.0156 7.0156 0.0000 0.0000 0.0000 0.0000 7.0151 7.0151 0.0000 0.0000 7.0154 7.0156 7.0156 7.0157 7.0153 7.0152 7.0156 7.0156 7.0151 7.0151 7.0156 7.0154 7.0153 7.0152 7.0154 7.0153 7.0156 7.0156 7.0151 7.0151 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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">-16.819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">324</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">12.32 8.69 8.68 8.61 8.58 7.86 5.12 4.53 4.41 4.41 4.40 4.25 4.15 4.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 2 1 1 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:x S P:y P:y S P:z S P:z S S S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -15.731 -10.027 -10.027 3.851 -10.027 -26.921 -10.027 -26.921 -26.921 -26.921 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 2.00 1.33 1.33 0.00 1.33 2.00 1.33 2.00 2.00 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">40 38 104 52 46 104 38 38 40 46 52 40 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O P O 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">-16.456</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.92 10.12 8.94 8.87 8.61 8.05 4.64 4.59 4.47 4.46 4.28 4.26 4.21 4.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:x P:y P:y S S P:z S S S P:z S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -15.731 3.851 -10.027 -26.921 -26.921 -26.921 -10.027 -26.921 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 2.00 0.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">96 23 72 90 105 105 23 23 90 72 90 96 72 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P P O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.553</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="13">25.69 8.20 7.87 6.81 6.73 4.93 3.26 3.21 3.15 2.92 2.91 2.04 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 2 2 1 1 1 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:z P:z P:y P:y P:x P:z P:x P:x D:xz P:x S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -5.665 -5.665 -10.027 -10.027 -6.750 2.733 -26.921 2.733</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">40 38 40 52 46 104 104 46 52 100 104 40 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O P P O O Tc P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.426</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="16">22.36 9.41 9.40 9.37 5.75 5.62 2.82 2.57 2.35 2.25 2.19 1.59 1.48 1.27 1.26 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 2 2 1 3 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:y P:z P:y P:z P:z P:x S P:z P:x P:x P:x P:z D:yz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -5.665 -5.665 -26.921 2.733 -10.027 -10.027 2.733 -10.027 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.00 1.00 2.00 0.00 1.33 1.33 0.00 1.33 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">38 46 38 52 40 104 104 38 104 52 46 104 26 18 5 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O P P O P O O P O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">328</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.35 14.27 9.48 9.43 9.06 6.65 6.53 3.18 1.88 1.87 1.36 1.36 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">46 52 52 46 104 40 38 104 46 52 1 14 27 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.109</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="13">20.62 13.40 12.65 6.79 5.19 5.14 4.13 2.40 2.36 2.26 2.08 2.02 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 2 1 1 3 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:z P:z P:x P:x P:x P:x S P:x D:xz P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -10.027 -6.750 -10.027 -10.027 -5.665</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 1.33 1.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">96 23 96 105 90 72 105 96 23 102 72 90 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O P O O P O O Tc O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.074</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="9">22.49 14.06 14.05 7.77 6.08 3.35 2.95 1.84 1.56</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 2 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">P:x P:y P:y P:z P:x P:z P:z S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 2.733 -10.027 -26.921 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">1.33 1.33 1.33 1.00 1.33 0.00 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">23 72 90 105 96 105 23 23 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O P O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.006</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="14">14.62 14.48 9.93 9.84 8.98 6.43 5.89 3.30 1.89 1.88 1.30 1.30 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">90 72 72 90 105 23 96 105 90 72 6 11 74 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.872</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="32">7.43 5.71 5.70 3.99 3.96 3.78 3.44 3.11 2.66 2.65 2.27 2.27 2.26 2.25 2.24 2.24 1.94 1.90 1.58 1.57 1.52 1.52 1.46 1.44 1.40 1.38 1.27 1.26 1.08 1.08 1.08 1.07</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 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y D:xz D:xz P:z P:z P:y P:y P:y P:z P:z P:z P:x P:z D:yz D:yz P:x P:y P:y P:z P:z D:xz D:xz P:x P:x P:x P:x D:yz D:yz P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">26 1 14 34 67 30 28 37 32 65 66 34 33 18 5 67 67 34 62 29 1 14 65 32 66 33 2 15 32 29 65 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W W O O O O O O O O O O W W O O O O O W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.791</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="34">7.71 5.70 4.72 3.51 3.51 3.49 3.48 3.14 3.13 2.91 1.94 1.94 1.93 1.92 1.85 1.84 1.84 1.82 1.60 1.60 1.59 1.59 1.58 1.57 1.54 1.52 1.50 1.49 1.45 1.42 1.39 1.39 1.15 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:z P:z D:x2-y2 D:x2-y2 P:x P:y P:y P:x P:x P:y D:yz D:yz P:x P:y D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">30 26 28 32 65 62 29 34 67 37 66 33 1 14 65 32 65 32 29 67 18 5 62 34 3 16 2 15 34 67 62 29 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O W W O O O O O O W W O O W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.451</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="27">11.83 11.64 3.86 3.78 2.87 2.80 2.31 2.25 2.19 2.14 1.93 1.92 1.91 1.88 1.84 1.73 1.68 1.28 1.26 1.18 1.16 1.15 1.15 1.12 1.12 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:x P:x P:x P:x P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 P:z D:x2-y2 P:z D:x2-y2 P:z P:z P:y P:y D:xz P:x P:x D:xz P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">60 25 27 61 45 41 35 97 18 5 15 98 2 36 101 43 54 45 41 3 45 41 16 35 97 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W W W O W O Tc O O O O W O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.417</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="30">9.56 9.35 7.18 4.74 4.67 3.31 2.86 2.83 2.81 2.77 1.81 1.79 1.71 1.67 1.63 1.60 1.45 1.43 1.39 1.36 1.34 1.34 1.27 1.24 1.13 1.11 1.10 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x D:yz P:x P:x D:yz P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z D:xz D:xz P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:xz D:xz P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.00 1.33 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 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">25 60 101 61 27 100 97 35 41 45 54 43 5 18 36 98 16 3 97 41 45 35 2 15 17 4 41 45 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O Tc O O Tc O O O O O O W W O O W W O O O O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.331</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="39">6.02 5.96 5.80 5.35 3.38 3.32 3.28 2.70 2.67 2.63 2.37 2.35 2.31 2.31 2.05 2.01 1.79 1.79 1.63 1.60 1.54 1.52 1.51 1.51 1.46 1.45 1.38 1.36 1.27 1.26 1.26 1.25 1.16 1.15 1.07 1.06 1.04 1.03 1.02</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 2 2 1 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">D:xz D:xz P:y P:y P:z P:z P:y P:z P:z P:y P:z P:z P:z P:z P:x P:x D:yz D:yz P:y P:y P:x D:xz D:xz P:x P:x P:x P:x P:x D:x2-y2 P:y P:y D:x2-y2 P:y P:y D:yz D:yz D:yz P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="39">6 11 93 85 94 87 86 53 80 73 79 24 99 77 94 87 7 12 87 94 24 6 11 79 77 99 80 53 9 24 79 19 53 80 10 20 19 99 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">W W O O O O O O O O O O O O O O W W O O O W W O O O O O W O O W O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">8.42 5.14 4.02 3.47 3.46 3.27 3.21 2.70 2.60 2.58 2.39 2.39 1.92 1.89 1.80 1.76 1.74 1.70 1.70 1.68 1.60 1.59 1.57 1.57 1.56 1.54 1.46 1.45 1.45 1.45 1.39 1.39 1.29 1.27 1.22 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y P:z P:z P:z P:z P:y P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:x P:x P:y P:x P:y P:x D:yz D:yz P:y P:y D:x2-y2 D:x2-y2 P:x P:y P:y P:x P:x P:x D:yz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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 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="36">93 85 86 79 24 94 87 73 53 80 99 77 6 11 94 87 87 24 94 79 7 12 24 79 9 19 80 53 80 53 77 99 19 9 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O W W O O O O O O W W O O 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">-13.159</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="30">8.15 8.13 4.45 4.43 3.94 3.92 3.28 3.24 3.20 3.19 2.33 2.30 2.24 2.19 1.92 1.91 1.82 1.80 1.79 1.78 1.68 1.68 1.52 1.50 1.38 1.35 1.12 1.12 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 2 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y D:xz D:xz P:x P:x P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 14 34 67 32 65 34 67 66 33 65 32 67 34 62 29 66 33 32 65 1 14 29 62 33 66 61 27 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.065</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">4.67 4.64 4.20 4.19 3.81 3.80 3.30 3.29 3.24 3.23 3.09 3.07 2.32 2.27 2.03 2.00 1.47 1.46 1.32 1.32 1.30 1.27 1.24 1.22 1.20 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:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x P:y P:y P:z P:x P:x P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">32 65 62 29 1 14 32 65 34 67 66 33 67 34 65 32 62 29 40 29 62 34 67 33 66 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.963</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="19">19.55 11.89 3.44 3.43 3.35 3.32 2.82 2.79 2.03 2.02 1.97 1.96 1.95 1.91 1.68 1.68 1.25 1.23 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:z P:z D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x D:x2-y2 D:x2-y2 D:yz D:yz P:z P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">30 28 32 65 3 16 2 15 60 25 15 2 16 3 62 29 37 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O W W W W O O W W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.13 7.12 6.34 6.17 3.59 3.11 2.69 2.43 2.36 2.25 2.22 2.15 1.93 1.93 1.71 1.57 1.56 1.49 1.44 1.41 1.40 1.39 1.35 1.32 1.29 1.26 1.20 1.16 1.15 -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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:x P:z P:z P:z P:z P:z P:y D:xz P:z D:xz P:y D:xz D:x2-y2 P:z D:xz P:y D:x2-y2 P:z D:x2-y2 P:y P:x D:x2-y2 P:y P:y D:x2-y2 P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -6.750 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -5.732</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 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">91 76 75 74 95 51 81 57 56 95 19 82 9 51 13 7 59 8 57 12 83 103 81 95 10 82 56 20 51 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W O W O W W O W O W O Tc O O W O O W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.902</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="24">6.38 6.27 6.26 6.16 4.05 3.40 2.97 2.32 2.29 2.29 2.28 1.90 1.86 1.85 1.83 1.82 1.80 1.77 1.15 1.14 1.10 1.09 1.06 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 P:x P:x P:y P:y P:y P:z P:x P:z P:x P:y D:xz P:z D:xz P:z D:xz D:xz D:yz D:yz P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">60 25 27 61 37 26 40 35 46 97 52 38 4 43 17 54 3 16 5 18 33 66 67 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O W O W O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.900</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="26">18.10 10.86 4.13 3.01 3.00 2.69 2.64 2.62 2.06 2.04 2.03 2.00 1.91 1.91 1.79 1.76 1.38 1.36 1.36 1.34 1.29 1.27 1.16 1.13 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:y P:y P:y D:x2-y2 D:x2-y2 P:y D:yz D:yz P:y P:x P:y P:x D:yz D:yz P:z P:z D:x2-y2 P:x P:x D:x2-y2 P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 0.80 0.80 1.33 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 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 26 30 4 17 28 17 4 33 66 66 33 5 18 34 67 18 60 27 5 25 61 66 33 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W W O W W O O O O W W O 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">-12.890</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="21">8.40 8.22 7.99 7.81 4.49 2.30 2.05 2.01 1.84 1.80 1.79 1.75 1.54 1.49 1.34 1.17 1.16 1.15 1.15 1.14 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:x P:z P:x P:z P:z D:xz D:xz D:xz D:xz P:z P:z S D:x2-y2 D:x2-y2 P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.581 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">61 27 25 60 22 22 97 35 16 3 17 4 54 43 106 2 15 36 98 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W W W W O O H W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.854</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="25">8.38 7.37 5.67 5.46 4.66 4.37 4.19 3.70 3.42 2.98 2.41 2.12 2.07 1.91 1.81 1.64 1.58 1.56 1.41 1.38 1.32 1.15 1.12 1.07 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:x P:x D:yz P:x P:x D:yz P:z P:z P:z P:z D:xz D:xz D:xz P:z D:xz P:z P:y P:x P:y P:x P:z P:y P:z P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">74 76 103 75 91 102 51 95 56 81 9 19 8 82 13 57 51 51 95 95 83 56 59 82 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O Tc O O Tc O O O O W W W 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">-12.714</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="28">9.49 5.28 5.07 2.21 2.21 2.15 1.96 1.91 1.90 1.85 1.84 1.76 1.64 1.58 1.57 1.53 1.53 1.52 1.52 1.45 1.45 1.33 1.30 1.29 1.24 1.24 1.23 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x D:z2 S P:z P:z P:z P:z P:z P:z D:x2-y2 P:z P:y P:y D:z2 P:y D:xz P:y D:xz D:xz P:x P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -6.581 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.00 1.33 1.00 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="28">40 22 22 100 106 38 28 32 65 25 60 100 26 43 54 101 45 100 41 18 5 40 25 60 29 62 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O Tc H O O O O O O Tc O O O Tc O Tc O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.677</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="28">22.04 5.31 3.58 3.57 3.29 2.99 2.41 2.20 2.17 1.90 1.66 1.64 1.53 1.51 1.45 1.34 1.33 1.13 1.12 1.11 1.09 1.08 1.08 1.07 1.07 1.07 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 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z S D:xz D:xz D:x2-y2 P:x D:z2 P:z P:z S P:z P:z P:x P:x P:z P:y P:y S P:z P:z P:x P:x P:x P:x P:x P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -6.581 -4.411 -4.411 -6.750 -10.027 -6.750 -10.027 -10.027 -26.921 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 3.073 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.00 0.80 0.80 1.00 1.33 1.00 1.33 1.33 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">21 107 11 6 102 21 102 53 80 21 79 24 80 53 96 53 80 107 94 87 24 76 81 79 74 56 96 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O H W W Tc O Tc O O O O O O O O O O H 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">-12.656</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="30">4.75 3.40 3.38 2.85 2.79 2.77 2.65 2.64 2.60 2.59 2.58 2.55 2.44 2.29 2.28 2.28 2.28 2.16 2.15 2.04 2.04 1.99 1.99 1.74 1.62 1.60 1.34 1.33 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:y P:z P:x P:x P:x P:x P:x P:x D:xy D:xy P:x D:xy D:xy D:z2 D:z2 P:x P:x P:x P:x P:y P:y D:z2 P:z D:x2-y2 P:z P:z P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -6.581</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 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">40 25 60 22 28 26 65 32 29 62 18 5 22 2 15 1 14 34 67 33 66 35 97 101 38 100 41 45 30 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W W O W W W W O O O O O O Tc O Tc O O O H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.639</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="23">15.22 4.48 4.47 4.46 4.44 3.61 3.45 3.39 3.12 3.10 2.65 2.55 2.25 2.06 2.06 2.01 2.01 2.01 1.69 1.32 1.29 1.27 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 D:xz D:xz P:z P:z S P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y D:x2-y2 P:x P:z D:z2 S D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -6.581 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -26.921 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 0.80 0.80 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 1.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">21 6 11 94 87 107 77 99 94 87 87 94 21 77 99 77 102 99 96 102 21 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O W W O O H O O O O O O O O O O Tc O O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.617</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="26">13.79 7.89 7.88 7.19 2.70 2.48 2.47 2.40 2.39 2.11 2.11 -2.06 1.23 1.22 1.21 1.20 1.13 1.11 1.10 1.10 1.10 1.07 1.05 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y D:yz P:y P:y D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:y P:y P:y D:xy P:z P:z P:y P:y D:yz D:xz D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.00 1.33 1.33 0.80 0.80 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">40 52 46 38 104 65 32 1 14 47 70 104 34 67 66 33 100 60 25 44 69 100 18 5 1 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O P O O W W O O P O O O O Tc O O O O Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.560</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="25">6.39 5.15 5.12 5.10 5.05 3.27 3.27 3.23 3.22 2.36 2.33 2.08 2.05 1.83 1.81 1.80 1.80 1.80 1.78 1.57 1.53 1.44 1.13 1.13 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:z P:z P:x P:x P:z P:z P:x P:y P:y P:x P:y P:y S P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">21 79 53 24 80 11 6 80 53 77 99 80 53 94 87 24 79 24 79 87 94 107 90 72 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O W W O O O O O O O O O O O O O O H O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">352</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">18.46 9.03 8.26 5.49 4.72 4.13 2.87 2.51 2.00 1.45 1.45 1.40 1.39 1.36 1.31 1.30 1.30</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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:z P:x S P:x D:xz P:z S D:x2-y2 D:xy D:xy P:x P:x P:x P:y S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.581 -10.027 -6.750 -10.027 -26.921 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 3.073 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.00 1.33 1.00 1.33 2.00 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">22 38 22 106 38 100 40 22 101 18 5 46 52 26 60 106 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O H O Tc O O Tc W W O O O O H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.468</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="27">13.61 13.57 2.14 2.13 2.02 1.98 1.98 1.76 1.54 1.54 1.51 1.50 1.46 1.45 1.39 -1.28 1.15 1.14 1.14 1.14 1.14 1.13 1.13 1.13 1.13 1.08 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 3 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z P:y P:z P:y P:x P:z P:z P:x P:x P:x P:x D:x2-y2 P:z D:xz P:z P:z P:z P:z P:z D:xz P:z P:x D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 2.733 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 11.931 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">52 46 27 61 46 37 52 38 42 68 67 34 32 65 104 104 4 31 64 65 32 67 17 34 30 104 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O P P W O O O O O W O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.458</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="29">10.29 7.47 6.10 6.07 3.54 3.05 2.85 2.84 2.52 2.51 2.14 2.10 1.74 1.74 1.53 1.52 1.50 1.44 1.42 1.40 1.40 1.31 1.30 1.29 1.29 1.17 1.17 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x D:xy D:xy P:x P:x P:y P:y P:y D:xy D:xy P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">38 40 52 46 37 30 34 67 25 60 100 104 98 36 29 62 28 1 14 33 66 32 65 61 27 97 35 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O Tc P O O O O O W W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.427</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="27">6.01 5.06 4.33 4.31 4.29 4.11 3.58 2.98 2.21 2.20 1.98 1.94 1.77 1.77 1.76 1.75 1.62 1.58 1.57 1.57 1.56 1.55 1.30 1.11 1.06 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:y P:y P:x P:x P:y P:y P:y P:y P:z P:z D:yz D:yz P:z P:z P:z P:z P:x D:xy D:yz D:xy D:yz P:x D:xy P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 11.931 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">23 86 72 90 85 93 73 96 80 53 7 12 77 94 87 99 91 6 10 11 20 75 105 76 74 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O W W O O O O O W W W W O P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.365</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="21">15.74 9.08 4.63 4.34 3.41 3.40 2.69 2.63 2.33 2.31 1.98 1.97 1.65 1.63 1.61 1.60 1.58 1.55 1.47 1.36 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:x P:x P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz P:x D:yz P:x D:yz P:y P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">93 73 91 75 53 80 10 20 9 19 10 20 80 19 53 9 80 53 76 74 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W W W W W 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">-12.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">357</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">14.88 8.18 4.91 4.67 2.67 2.65 2.55 2.54 2.18 2.16 2.15 2.05 1.84 1.79 1.51 1.49 1.39 1.39 1.34 1.33 1.27 1.23 1.14 1.13 1.10 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:y P:y P:x P:x D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x D:yz D:yz P:x P:y P:y P:z P:z P:x P:x D:yz D:yz P:z P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 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="26">86 85 91 75 13 8 7 12 76 13 8 74 99 77 87 94 77 99 12 7 81 56 73 57 82 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W W W 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">-12.301</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="21">9.59 9.57 8.66 6.22 3.29 2.75 2.73 2.25 2.25 2.25 -1.76 1.65 1.64 1.44 1.36 1.33 1.32 1.28 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:z P:x P:x P:x D:xz D:xy D:xy P:x D:z2 D:z2 S P:x P:x P:x D:x2-y2 P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -4.411 -4.411 2.733 -4.411 -4.411 -6.581 -10.027 -10.027 -10.027 -6.750 -0.512 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.80 0.80 0.00 0.80 0.80 1.00 1.33 1.33 1.33 1.00 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">46 52 40 22 38 43 54 104 1 14 104 4 17 106 22 42 68 101 100 35 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O P W W P W W H O O O Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.295</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="20">12.90 12.31 6.49 6.21 1.71 1.64 1.57 1.54 1.50 1.48 1.36 1.33 1.30 1.29 1.27 1.23 1.09 1.04 1.03 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:x P:x P:x D:xz D:xz D:x2-y2 P:z P:z D:x2-y2 P:x P:x P:z P:y P:y P:z P:z P:x D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">75 91 74 76 9 19 20 21 23 10 82 57 51 95 51 95 56 83 8 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W W W O O W 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">-12.282</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="25">8.91 8.23 4.79 4.74 3.29 3.25 3.03 3.02 2.94 2.90 2.75 2.74 2.67 2.66 1.86 1.83 1.66 1.66 1.39 1.37 1.31 1.30 1.29 1.29 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">D:yz D:yz P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x D:xz D:xz P:x P:x P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 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="25">101 100 43 54 35 97 43 54 97 35 98 36 45 41 54 43 17 4 35 97 36 98 41 45 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Tc Tc O O O O O O O O O O O O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.182</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="31">3.29 3.26 2.99 2.98 2.62 2.61 2.50 2.49 2.16 2.07 2.03 2.02 2.01 1.95 1.95 1.92 1.91 1.89 1.87 1.60 1.58 1.55 1.55 1.54 1.53 1.37 1.13 1.10 1.09 1.09 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">D:z2 D:z2 P:z P:z P:y P:y P:y P:y P:z D:z2 P:z P:z P:z P:x P:x P:z P:z D:z2 D:z2 P:z P:z P:x P:x P:z P:z P:x P:z D:xz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">6 11 72 90 56 81 95 51 93 103 94 87 86 77 99 24 79 19 9 76 74 79 24 53 80 23 21 13 8 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W O O O O O O O Tc O O O O O O O W W O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.173</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="19">13.81 8.24 8.20 8.15 2.80 2.65 2.64 2.31 2.28 -2.22 1.96 1.96 1.38 1.33 1.32 1.20 1.19 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:y P:y D:yz P:y P:y D:x2-y2 D:x2-y2 P:y P:y P:y D:xy P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -4.411 -4.411 2.733 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 0.00 1.33 1.33 0.80 0.80 0.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">96 72 90 23 105 58 63 6 11 105 53 80 102 94 87 77 99 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O P O O W W P O O Tc O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.154</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">4.43 4.41 4.26 4.24 3.83 3.81 2.46 2.44 2.29 2.28 1.82 1.77 1.76 1.74 1.74 1.72 1.72 1.69 1.68 1.61 1.60 1.59 1.57 1.48 1.47 1.41 1.41 1.35 1.34 1.18 1.18 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:x P:x P:x D:z2 D:z2 P:z P:z P:z P:z D:xy P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y D:z2 D:z2 D:xz D:xz D:z2 D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">34 67 32 65 1 14 25 60 33 66 101 97 35 43 54 32 65 29 62 67 34 41 45 37 38 16 3 2 15 5 18 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O W W O O O O Tc O O O O O O O O O O O O O O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.139</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="28">4.55 4.53 4.09 4.05 2.70 2.69 2.68 2.67 2.61 2.52 2.22 2.22 2.03 2.03 1.93 1.92 1.92 1.91 1.82 1.48 1.44 1.39 1.38 1.30 1.12 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x D:xy D:xy P:z P:z P:z D:xy D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">54 43 97 35 41 45 27 61 30 37 36 98 43 54 35 97 25 60 26 3 16 34 67 40 17 4 62 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 W W O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.086</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="21">12.05 11.94 3.54 3.03 2.42 2.41 1.87 1.78 1.76 1.63 -1.63 1.55 1.52 1.45 1.44 1.42 1.40 1.36 1.36 1.25 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 3 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:z P:z P:z D:x2-y2 P:y P:y P:z P:z D:x2-y2 P:z P:z P:z P:z P:z D:xy D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 2.733 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.00 1.00 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="21">23 96 23 21 72 90 105 91 75 73 105 103 85 50 55 75 91 12 7 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O P O O O P Tc O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.081</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">4.50 4.49 3.83 3.26 2.32 2.30 2.04 1.90 1.88 1.85 1.85 1.85 1.84 1.76 1.72 1.69 1.47 1.46 1.42 1.42 1.26 1.25 1.22 1.22 1.22 1.08 1.08 1.07 1.05 1.05 1.05 1.00 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:z P:z P:x D:x2-y2 D:xy D:xy P:x 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:y P:x P:x D:xy D:xy P:x P:x P:x P:z P:x D:xy D:xy D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">97 35 30 101 3 16 28 36 98 43 45 41 54 30 34 67 27 61 60 25 97 35 15 2 37 65 32 26 26 4 17 5 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O Tc W W O O O O O O O O O O O O O O O O W W 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">-12.045</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="28">9.18 9.14 3.47 3.46 3.35 3.35 2.72 2.16 2.16 2.01 1.97 1.95 1.94 1.67 1.66 1.51 1.51 1.51 1.20 1.13 1.13 1.13 1.13 1.05 1.04 1.03 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:z P:z P:x P:x P:x P:x P:x P:x P:x P:y P:y D:xy D:xy D:xy D:xy P:x P:y P:y D:z2 P:y P:z P:z P:y D:xy D:xy P:x P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750</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 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">72 90 94 87 80 53 93 23 86 90 72 9 19 13 8 85 76 74 105 91 78 88 75 12 7 24 79 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O W W W W O O O P O O O O W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.011</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="32">8.22 5.32 5.23 5.20 5.19 4.22 4.20 3.96 2.44 2.42 2.25 2.25 2.24 2.04 1.70 1.59 1.58 1.57 1.57 1.53 1.52 1.51 1.38 1.37 1.36 1.36 1.33 1.31 1.30 1.21 1.20 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:y P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y P:y D:xy P:y P:y P:y P:y P:y P:y D:xy P:x P:x P:x P:x D:xy P:x P:x P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 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="32">23 86 96 90 72 75 91 93 74 76 94 87 85 73 105 99 53 80 77 24 79 102 57 82 81 56 103 51 95 83 59 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O P O O O O O O Tc O O 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">-11.980</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="36">3.94 3.47 3.45 3.39 3.26 3.25 2.99 2.99 2.95 2.66 2.49 2.49 2.22 2.22 2.04 2.02 1.72 1.66 1.66 1.66 1.45 1.39 1.39 1.37 1.36 1.29 1.27 1.26 1.24 1.10 1.10 1.07 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">D:z2 P:z P:z P:z P:y P:y P:y P:y P:z D:x2-y2 P:z P:z P:y P:y D:yz D:yz P:z P:z D:z2 D:z2 P:x D:xy D:xy D:xy D:xy D:z2 D:yz D:yz P:x P:y P:y P:y P:y D:xy D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.00 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 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">101 54 43 37 45 41 97 35 30 100 36 98 43 54 4 17 26 28 2 15 37 1 14 5 18 100 3 16 26 29 62 32 65 17 4 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">Tc O O O O O O O O Tc O O O O W W O O W W O W W W W Tc W 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">-11.939</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="22">11.08 11.06 8.86 4.32 3.54 2.44 2.43 2.40 -1.93 1.80 1.76 1.42 1.41 1.32 1.30 1.19 1.18 1.18 1.18 1.17 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:x P:z P:x D:xy D:xy D:xz P:x P:x P:x P:x P:x D:xz P:x P:x P:x P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 11.931 2.733 -10.027 -10.027 -10.027 -10.027 -6.750 -0.512 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.00 1.33 1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">72 90 96 21 23 6 11 105 105 95 51 59 83 102 102 56 81 80 53 96 63 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O W W P P O O O O Tc Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.890</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="42">4.64 2.79 2.79 2.79 2.59 2.42 2.40 2.13 2.13 1.95 1.94 1.89 1.88 1.81 1.79 1.77 1.35 1.32 1.28 1.27 1.25 1.23 1.23 1.22 1.22 1.22 1.21 1.18 1.18 1.11 1.09 1.08 1.08 1.08 1.08 1.07 1.07 1.07 1.06 1.05 1.05 1.00</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:z D:yz P:z D:yz P:z D:yz D:yz P:z P:z P:y P:y P:x P:x P:y P:y D:xz D:x2-y2 D:x2-y2 P:y P:y D:x2-y2 P:y P:y D:x2-y2 P:x P:z P:x D:xz D:xz D:xy P:y P:y P:y P:y P:z P:x D:xy P:z P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">-10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">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 1.33 1.00 0.80 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 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="42">30 3 28 16 26 1 14 70 47 65 32 97 35 34 67 101 18 5 71 49 2 62 29 15 49 37 71 18 5 5 25 66 33 60 60 69 18 25 44 98 36 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">O W O W O W W O O O O O O O O Tc W W O O W O O W O O O W W 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">-11.776</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">8.04 6.74 4.19 3.94 3.24 3.18 3.17 3.09 2.93 2.90 2.65 2.48 2.29 2.27 2.25 2.10 1.72 1.60 1.41 1.38 1.35 1.33 1.32 1.26 1.19 1.14 1.11 1.11 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz P:z P:z P:z P:y P:y P:z P:y P:y P:z P:z P:x P:x P:z P:z P:x P:x D:xz P:x P:x D:xz P:x P:x D:xz D:xz P:y D:z2 D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 103 81 56 95 95 81 51 56 51 59 83 51 95 57 82 81 56 13 77 99 8 79 24 19 9 59 6 11 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc O O O O O O O O O O O O O O O O W O O W O O W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.684</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="25">4.69 4.63 4.25 4.09 3.88 3.81 3.20 3.05 2.97 2.91 2.84 2.79 1.87 1.76 1.65 1.53 1.49 1.41 1.13 1.10 1.09 1.07 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P: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:z P:y P:y P:z P:x P:y D:x2-y2 P:x P:z P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">51 95 81 56 56 81 82 57 95 83 51 59 85 75 74 76 91 93 75 102 73 87 86 8 91</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 O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.674</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="37">4.09 3.87 3.85 3.66 3.35 3.34 3.13 3.07 3.06 2.97 2.56 2.52 2.13 1.92 1.91 1.90 1.88 1.65 1.58 1.56 1.48 1.43 1.40 1.37 1.32 1.31 1.29 1.29 1.21 1.20 1.20 1.16 1.16 1.14 1.12 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:x P:x P:x P:x P:z P:z D:z2 P:z D:z2 P:z P:z P:z P:z D:xy P:z P:z P:z P:z D:yz P:z P:x P:x D:z2 D:z2 P:z D:xy P:z D:xz D:xz D:xz P:z P:z D:z2 D:yz D:xz D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.750 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -6.750 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">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 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">53 80 94 87 51 56 6 95 11 81 99 77 91 103 79 24 75 74 102 76 82 57 9 19 53 102 94 7 10 12 80 87 8 103 20 13 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O O O O W O W O O O O Tc O O O O Tc O O O W W O Tc O W W W O O W Tc W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.636</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="36">3.43 3.43 3.29 3.27 2.58 2.57 2.56 2.54 1.96 1.93 1.82 1.82 1.82 1.70 1.69 1.63 1.62 1.56 1.56 1.55 1.54 1.53 1.53 1.53 1.52 1.52 1.51 1.41 1.39 1.31 1.31 1.25 1.22 1.17 1.17 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:x P:x P:z P:y P:z P:y D:xz D:xz D:xz D:xz D:xy P:x P:x P:z P:z D:xy P:y D:xy P:y D:z2 P:y P:y D:xy D:z2 D:xy P:x P:x P:z P:z P:x P:x D:xy D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">69 44 36 98 60 25 25 60 15 2 5 18 100 49 71 33 66 2 29 15 62 14 27 61 5 1 18 45 41 47 70 62 29 16 3 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O W W W W Tc O O O O W O W O W O O W W W O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.625</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="30">5.35 4.24 4.23 3.67 3.44 3.43 3.02 3.01 2.53 2.53 2.40 2.40 2.27 2.25 2.25 2.24 1.74 1.71 1.59 1.58 1.42 1.41 1.36 1.35 1.26 1.26 1.08 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z D:z2 D:z2 D:xz D:z2 D:z2 P:x P:x P:x P:x P:x P:x P:z P:x P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z D:xy D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">26 18 5 101 3 16 64 31 45 41 35 97 40 28 27 61 49 71 71 49 34 67 29 62 35 97 15 2 40 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O W W Tc W W O O O O O O O O O O O O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.593</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="34">7.30 3.90 3.88 2.30 2.25 2.24 2.24 2.23 2.15 2.14 2.01 1.98 1.91 1.90 1.74 1.74 1.59 1.58 1.55 1.55 1.46 1.43 1.34 1.34 1.29 1.28 1.27 1.27 1.26 1.23 1.21 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y D:xy D:xy D:z2 P:y D:z2 P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:x P:y P:x P:x P:x D:xy D:xy D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">40 66 33 14 1 4 26 17 31 64 70 47 52 46 70 47 61 27 61 27 46 52 69 44 44 37 36 69 98 17 4 100 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O W W W O W O O O O O O O O O O O O O O O O O O O O O W W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.569</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="37">3.81 3.55 3.41 2.54 2.52 2.49 2.35 2.32 2.31 2.27 2.12 1.77 1.76 1.74 1.73 1.71 1.68 1.66 1.66 1.66 1.66 1.66 1.43 1.43 1.42 1.40 1.30 1.27 1.24 1.18 1.18 1.14 1.11 1.11 1.08 1.08 1.02</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:z P:z D:xy D:xy P:z P:z P:x P:y P:y P:x D:yz D:yz P:y P:x P:y D:xy D:xy P:z P:z P:y P:y P:x P:y P:x P:y D:x2-y2 P:x P:x D:xy P:x D:xy P:x P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 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="37">93 51 95 9 19 56 81 85 94 87 86 6 11 75 73 91 8 13 58 63 74 76 51 83 95 59 103 80 53 12 87 7 94 85 80 53 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O W W O O O O O O W W O O O W W O O O O O O O O Tc 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">-11.556</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="31">9.00 2.72 2.72 2.71 2.70 2.66 2.63 2.12 2.09 1.60 1.53 1.52 1.45 1.45 1.40 1.39 1.38 1.36 1.35 1.35 1.23 1.23 1.11 1.09 1.08 1.07 1.07 1.06 1.06 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z D:z2 P:z D:z2 P:x P:x P:y P:y P:y P:x P:x P:z P:z P:x D:xy P:x D:xy D:yz D:yz P:x P:x P:y P:y P:y P:y P:x P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">38 27 3 61 16 71 49 47 70 28 45 41 49 71 31 1 64 14 5 18 67 34 49 66 33 71 70 30 62 47 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O W O W O O O O O O O O O O W O W W W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.546</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="36">3.32 2.94 2.54 2.51 2.49 2.40 2.38 2.05 2.01 1.98 1.97 1.89 1.88 1.85 1.69 1.54 1.52 1.51 1.45 1.44 1.44 1.44 1.43 1.25 1.24 1.23 1.23 1.23 1.22 1.12 1.11 1.08 1.08 1.07 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x D:z2 P:x P:y P:y P:x P:x D:xy D:xy D:xy D:xy P:y P:y P:x P:z P:x D:z2 P:x P:y P:y P:x P:x P:x P:z P:z P:y P:y P:y P:y P:z P:z D:xy D:z2 D:xy D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">26 101 37 65 32 47 70 4 17 1 14 29 62 28 28 68 100 42 45 41 33 30 66 44 69 35 97 34 67 54 43 2 15 15 2 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O Tc O O O O O W W W W O O O O O Tc O O O O O O O O O O O O O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.521</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="28">7.26 3.67 3.64 3.11 2.89 2.87 2.83 2.82 2.41 2.40 2.04 2.04 1.87 1.68 1.66 1.50 1.50 1.45 1.42 1.42 1.40 1.39 1.36 1.32 1.25 1.13 1.11 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 D:yz D:yz P:z P:y P:y P:y P:y P:y P:y D:xy D:xy D:z2 P:y P:y P:x P:x D:yz D:yz P:y P:y P:z P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">93 9 19 86 56 81 51 95 79 24 11 6 102 53 80 63 58 8 13 92 48 81 56 73 102 19 9 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O W W O O O O O O O W W Tc O O O O W W O O O O O Tc W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.503</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="28">6.50 5.26 4.57 2.74 2.72 2.36 2.36 2.18 2.17 2.05 1.85 1.82 1.77 1.76 1.75 1.47 1.46 1.37 1.37 1.37 1.26 1.25 1.21 1.20 1.11 1.11 1.09 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:z P:z P:x P:y P:y D:yz D:yz D:x2-y2 D:x2-y2 P:z P:x P:x P:x D:z2 P:x D:z2 D:z2 P:x P:z P:x P:x P:x P:y P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">28 30 40 64 31 3 16 3 16 22 31 64 62 100 29 2 15 45 40 41 97 35 44 69 61 27 29 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O W W W W O O O O Tc O W W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.438</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="29">5.75 5.75 4.97 4.94 3.36 3.34 2.62 2.61 2.28 2.27 2.16 2.16 2.15 2.15 1.89 1.88 1.71 1.61 1.61 1.56 1.55 1.50 1.49 1.37 1.35 1.25 1.25 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z D:yz D:yz P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x D:xy D:xy D:xy P:z P:z D:z2 D:z2 D:xy D:xy P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">47 70 1 14 29 62 45 41 65 32 34 25 60 67 71 49 101 18 5 44 69 18 5 2 15 46 52 66 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O W W O O O O O O O O O O O O Tc W W O O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.427</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">7.88 5.73 3.42 3.40 2.82 2.77 2.75 2.69 2.66 2.24 2.23 2.23 2.22 1.81 1.51 1.44 1.44 1.41 1.38 1.24 1.24 1.12 1.09 1.07 1.06 1.06 1.05 1.03 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:y P:y D:yz D:yz P:x P:y P:y D:z2 D:z2 P:y P:y P:z D:z2 P:x P:x D:z2 D:z2 P:z P:z D:x2-y2 D:x2-y2 P:x D:z2 D:z2 P:x D:xz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 0.80 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="31">37 26 42 68 4 17 38 66 33 15 2 71 49 28 101 98 36 17 4 60 25 17 4 33 5 18 66 18 5 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O W W O O O W W O O O Tc O O W W O O W 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">-11.421</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="32">3.62 3.58 3.09 2.78 2.77 2.60 2.58 2.20 2.19 2.08 2.05 2.00 1.98 1.88 1.87 1.87 1.83 1.66 1.60 1.59 1.56 1.34 1.33 1.18 1.15 1.15 1.14 1.14 1.12 1.07 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:z P:z P:y P:y D:yz D:yz P:x P:x P:z P:z P:x P:x D:yz D:yz D:yz D:yz D:xy D:xy P:y P:y P:y P:y D:x2-y2 D:x2-y2 P:x P:y P:y P:x P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">86 85 93 57 82 8 13 95 51 63 58 56 81 6 19 9 11 7 12 94 87 99 77 12 7 55 50 55 50 91 75 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O W W O O O O O O W W W W W W O O O O W W O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.306</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="37">3.99 3.97 3.67 3.64 3.52 2.31 2.29 2.27 2.26 2.24 2.05 2.04 1.87 1.64 1.63 1.47 1.41 1.40 1.37 1.35 1.35 1.30 1.25 1.25 1.24 1.21 1.21 1.20 1.18 1.17 1.10 1.09 1.09 1.06 1.06 1.04 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">D:xy D:xy P:x P:x P:z P:x P:x P:z P:z P:x P:y P:y D:xz D:xz D:xz P:x P:y P:x P:y P:x P:z D:xz P:x P:x P:y P:y P:y P:y D:xy D:xy P:y P:y P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 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="37">15 2 36 98 38 69 44 69 44 28 54 43 101 15 2 38 98 22 36 26 40 100 45 41 44 69 35 97 5 18 71 49 30 70 47 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">W W O O O O O O O O O O Tc W W O O O O O O Tc O O O O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.278</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.98 4.95 4.24 4.24 3.98 3.97 2.78 2.78 2.13 2.12 2.07 2.07 1.97 1.91 1.90 1.89 1.89 1.85 1.85 1.52 1.51 1.19 1.09 1.09 1.04 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 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:x P:y P:y P:z P:z P:z P:z D:z2 D:z2 P:y P:x P:x P:x P:x D:z2 D:z2 D:z2 D:z2 P:y P:y D:xy D:x2-y2 D:x2-y2 P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">64 31 68 42 47 70 27 61 46 52 3 16 37 97 35 54 43 17 4 14 1 26 30 101 3 16 70 60 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O W W O O O O O W W W W O O Tc W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.219</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="32">3.01 3.00 2.45 2.45 2.30 2.27 2.25 2.22 2.00 1.98 1.91 1.89 1.87 1.86 1.85 1.83 1.81 1.80 1.62 1.55 1.25 1.22 1.19 1.17 1.11 1.08 1.04 1.03 1.02 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:z P:z P:z P:z D:yz D:yz D:xy D:xy P:z P:z P:z D:xy P:z D:xy P:y P:y P:x P:x P:y P:y P:y P:y P:z P:x P:y P:z P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">76 74 92 48 63 58 6 11 19 9 88 78 72 13 90 8 99 77 51 95 94 87 53 80 74 56 91 76 75 81 24 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O W W W W O O O W O W O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.208</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="31">4.51 3.22 3.21 3.18 3.16 2.92 2.59 2.58 2.40 2.38 2.10 2.08 2.07 2.07 1.90 1.89 1.85 1.84 1.65 1.64 1.56 1.52 1.50 1.38 1.34 1.25 1.16 1.11 1.09 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:x P:x P:x P:y P:x P:x P:y P:y D:xy P:x D:xy P:x P:y P:y D:xz D:xz P:x P:x P:y D:yz D:yz P:z P:z D:xy D:xy P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">26 47 70 68 42 28 43 54 67 34 1 31 14 64 32 65 14 1 46 52 37 17 4 33 66 101 100 35 33 97 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O W O W O O O W W O O O W W 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">-11.195</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="22">6.35 3.56 3.55 3.08 3.02 2.79 2.39 2.13 1.81 1.79 1.69 1.67 1.55 1.44 1.41 1.33 1.33 1.24 1.22 1.20 1.18 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:x P:x P:x D:z2 P:z D:xy P:x D:z2 P:x P:y P:y D:xy P:x P:y D:xy P:y P:x D:yz D:yz P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -6.750 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 0.80 1.33 1.33 1.33 0.80 1.33 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="22">23 50 82 55 19 76 103 57 12 92 63 58 6 63 99 11 79 58 12 7 63 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W O Tc O W O O O W O 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">-11.194</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="22">3.18 3.09 2.94 2.72 2.62 2.44 2.05 1.85 1.65 1.57 1.53 1.44 1.41 1.41 1.23 1.22 1.20 1.19 1.13 1.07 1.06 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:z P:z P:y P:z P:y P:z P:z D:z2 P:y D:z2 P:x P:x P:z P:y P:x P:x P:x P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">33 34 67 66 66 33 29 62 101 23 9 33 37 74 45 30 35 57 66 48 64 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O Tc 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">-11.192</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="22">3.78 3.68 3.65 3.00 2.67 2.63 2.42 2.39 2.32 2.25 2.17 2.08 2.02 2.00 1.60 1.46 1.34 1.33 1.28 1.21 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 P:x P:z P:x D:z2 P:z P:x P:x P:x P:z P:x P:x P:x D:z2 D:z2 D:z2 D:z2 P:z P:z P:y P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">9 48 74 92 19 76 88 78 51 85 56 95 81 7 8 13 12 95 51 55 58 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W O O O W O O O O O O O O W W W W O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.146</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="30">10.50 3.69 3.48 3.48 3.29 3.25 2.59 2.58 2.55 2.52 2.43 2.39 1.65 1.63 1.47 1.47 1.43 1.42 1.36 1.32 1.16 1.15 1.12 1.12 1.12 1.12 1.11 1.07 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:y D:xy P:x P:x P:x P:x P:y P:y D:xy D:xy P:x P:x P:y P:y D:yz P:y D:yz P:y P:z P:z P:x P:x P:z D:z2 D:z2 P:z P:x P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">96 102 83 59 89 84 24 79 11 6 63 58 58 63 10 92 20 48 58 63 72 90 76 8 13 74 79 24 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O Tc O O O O O O W W O O O O W O W O O O O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.111</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="24">6.39 4.80 4.77 3.24 3.23 2.82 2.80 2.30 2.24 2.09 2.07 2.06 1.95 1.95 1.86 1.80 1.76 1.67 1.64 1.64 1.63 1.30 1.21 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:x P:z P:z P:z P:z P:z P:z D:z2 D:z2 P:x P:x P:x D:xz D:z2 D:z2 P:x D:xy P:x D:xy P:x D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">96 73 96 84 89 55 50 85 23 7 12 23 82 57 102 10 20 21 12 85 7 73 103 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O W W O O O Tc W W O W O W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.102</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="28">3.65 3.64 2.51 2.49 2.39 2.29 2.16 2.16 2.10 2.09 2.04 2.04 1.87 1.87 1.84 1.80 1.74 1.74 1.73 1.47 1.45 1.42 1.42 1.07 1.06 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:z P:x D:z2 D:z2 P:y P:y P:z P:z P:y P:y P:x P:z D:z2 D:z2 P:z P:y P:y P:x P:x P:y P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">44 69 33 66 40 26 15 2 47 70 46 52 49 71 40 26 16 3 28 31 64 36 98 46 38 62 52 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O W W O O O O O O O O W W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.077</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="23">11.85 7.70 4.48 4.45 4.13 4.11 2.55 2.54 2.32 2.31 2.05 2.03 1.93 1.26 1.24 1.23 1.23 1.09 1.08 1.07 1.07 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:y P:y P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:z D:yz P:z D:yz P:x P:x D:xy D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="23">26 37 66 33 67 34 31 64 27 61 69 44 38 69 3 44 16 97 35 18 5 52 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O 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">-11.071</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="32">3.95 3.62 3.43 3.41 2.91 2.87 2.70 2.68 2.47 2.43 2.34 2.31 2.27 2.23 2.21 2.19 2.04 1.97 1.68 1.66 1.61 1.58 1.39 1.38 1.35 1.10 1.08 1.07 1.06 1.06 1.04 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:x P:x P:x D:xy D:xy D:xy D:xy D:z2 D:z2 D:xy D:xy P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:x P:z P:z P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">93 86 58 63 8 13 19 9 103 102 11 6 51 95 56 81 79 24 99 77 99 77 57 82 85 92 81 94 48 56 87 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O W W W W Tc Tc W W O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.050</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="35">4.53 4.52 4.19 4.18 2.67 2.42 2.39 1.95 1.95 1.90 1.85 1.84 1.82 1.81 1.81 1.77 1.75 1.73 1.70 1.65 1.63 1.53 1.48 1.46 1.32 1.23 1.23 1.16 1.14 1.08 1.08 1.08 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z D:yz D:yz D:xy P:x P:x P:z P:z P:y P:y P:y P:x P:x P:y D:xy D:xy P:y P:y P:x P:x P:y P:y P:y D:xy P:z P:z D:yz D:yz P:y P:x P:x D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">63 58 6 11 103 48 92 72 90 77 91 75 51 95 99 12 7 53 80 57 82 24 39 79 102 50 55 9 19 87 59 83 10 94 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O W W Tc O O O O O O O O O O W W O O O O O O O Tc O O W W O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.993</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="24">6.11 6.06 5.63 5.60 4.24 4.17 3.62 3.58 2.73 2.71 1.98 1.97 1.45 1.45 1.26 1.21 1.20 1.17 1.16 1.08 1.07 1.07 1.07 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:z P:z P:y P:y P:z P:z P:x P:x P:y P:y D:z2 D:z2 P:z P:x P:x D:z2 D:z2 P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">29 62 32 65 62 29 62 29 66 33 32 65 1 14 30 65 32 4 17 34 42 67 68 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O W W O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.979</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">400</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.17 3.30 3.10 3.04 2.66 2.65 2.63 2.63 2.63 2.61 2.33 2.07 2.06 1.78 1.76 1.65 1.61 1.41 1.40 1.39 1.37 1.36 1.17 1.16 1.13 1.13 1.04 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:y P:z D:xz P:z P:y D:xz P:x P:x P:x P:y P:y D:yz D:yz D:x2-y2 D:x2-y2 P:y P:y D:z2 P:x P:x D:xz D:xz P:x P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">86 85 55 50 88 91 7 75 78 12 23 82 57 50 55 8 13 12 7 77 99 103 84 89 10 20 83 59 99 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O W O O W O O O O O W W W W O O Tc O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.978</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="15">22.08 14.77 3.28 3.27 2.52 2.50 2.38 2.38 1.78 1.77 1.41 1.39 1.24 1.23 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:y P:x P:x P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">28 30 32 65 62 29 62 29 68 42 32 65 27 61 40</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">-10.932</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="36">4.61 4.60 4.53 4.52 3.79 3.78 2.08 2.08 2.07 1.96 1.95 1.93 1.87 1.87 1.85 1.84 1.82 1.65 1.62 1.53 1.51 1.51 1.47 1.46 1.27 1.26 1.25 1.17 1.14 1.13 1.13 1.13 1.13 1.06 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:x P:x P:z P:z D:xz P:y D:xz D:xy P:x P:x P:x P:x P:x P:x P:y P:z P:z P:y D:xz D:xz P:x P:x D:xy D:xy D:xy P:y P:y P:z P:z D:z2 D:z2 D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">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 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">71 49 98 36 69 44 15 38 2 100 49 71 46 52 45 41 40 31 64 28 18 5 69 44 2 15 101 44 69 41 45 5 18 5 22 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O W O W Tc O O O O O O O O O O W W O O W W Tc O 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">-10.901</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="33">6.53 6.41 4.22 4.19 2.39 2.34 2.11 2.09 2.02 2.01 1.82 1.74 1.63 1.63 1.46 1.46 1.41 1.41 1.31 1.28 1.28 1.27 1.23 1.22 1.19 1.16 1.16 1.15 1.10 1.10 1.07 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">P:x P:x P:y P:y P:x P:x D:z2 D:z2 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:xz P:x D:xz D:xz P:x D:xz D:z2 D:z2 P:z P:z P:y P:x P:x D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">92 48 63 58 95 51 9 19 75 91 58 63 50 55 90 72 74 76 10 88 12 20 78 7 11 6 89 84 86 82 57 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O W W O O O O O O O O O O W O W W O W 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">-10.883</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="28">3.68 2.44 2.29 2.29 1.95 1.94 1.81 1.81 1.74 1.68 1.68 1.59 1.58 1.52 1.51 1.50 1.49 1.30 1.16 1.15 1.15 1.14 1.08 1.07 1.04 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x D:xz D:xz P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:y P:y P:z P:y P:y P:y P:y P:x P:x D:xz D:xz P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="28">28 26 15 2 69 44 71 49 30 36 98 98 36 45 41 35 97 73 43 54 89 84 33 66 5 18 93 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O W W O O O O O O O O O O O O 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">-10.878</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="17">3.29 3.04 3.02 2.67 1.96 1.68 1.62 1.51 1.47 1.37 1.37 1.35 1.34 1.28 1.26 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:y P:z P:z P:y P:y D:xy D:xy P:z P:y P:x P:y P:y P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">73 89 84 93 23 55 50 20 10 85 53 28 80 92 48 86 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O W W O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.832</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="29">4.12 3.38 3.15 3.15 2.62 2.61 2.02 2.02 2.02 2.02 2.00 2.00 1.92 1.90 1.87 1.85 1.77 1.75 1.58 1.57 1.35 1.34 1.33 1.27 1.26 1.26 1.25 1.22 1.22</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:y P:x P:z P:x P:z P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:z P:z P:y D:x2-y2 P:y D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">26 37 25 60 61 27 66 36 33 98 45 41 41 45 60 25 34 67 47 70 40 62 29 54 4 43 17 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O W O W O O</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">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.18 7.12 3.98 3.91 3.44 3.43 2.58 2.55 2.12 2.10 2.09 2.08 1.90 1.88 1.78 1.75 1.69 1.68 1.59 1.55 1.44 1.43 1.22 1.19 1.16 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:x P:x P:x P:x P:x D:xy D:xy P:y P:y P:y P:y P:y P:y D:yz D:yz D:z2 D:z2 P:x P:x D:xy P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">88 78 56 81 58 63 72 90 11 6 50 55 87 94 80 53 13 8 8 13 48 92 102 73 92 48 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W W O O O O O O W W W W O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.812</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="30">3.28 3.28 3.15 3.15 2.74 2.66 2.65 2.61 2.60 2.16 2.16 2.08 2.06 2.06 1.97 1.97 1.88 1.87 1.71 1.71 1.54 1.52 1.29 1.24 1.22 1.20 1.18 1.17 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x D:z2 D:z2 P:x P:z P:z P:z P:z P:z P:z P:x P:z P:x P:x P:x P:x P:x D:z2 D:z2 P:x P:x P:z P:y P:y P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">54 43 4 17 38 42 68 64 31 29 62 42 30 68 46 52 71 49 3 16 47 70 28 49 71 37 62 29 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O W W O O O O O O O O O O O O O O W W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.765</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="28">8.81 8.80 2.37 2.36 2.22 2.22 1.68 1.68 1.67 1.66 1.63 1.60 1.58 1.58 1.54 1.52 1.49 1.48 1.26 1.26 1.24 1.24 1.12 1.11 1.06 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:z P:z P:z P:y P:z P:y P:x P:x P:z P:z P:y P:y D:yz D:yz P:z P:z P:z P:z D:x2-y2 P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">70 47 69 44 69 44 71 49 49 71 44 69 64 31 36 98 14 1 33 66 27 61 101 40 97 35 35 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O W W O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.751</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="33">5.85 5.84 3.51 3.50 3.11 2.99 2.92 2.28 2.26 2.20 2.20 2.06 1.91 1.82 1.81 1.43 1.41 1.41 1.37 1.36 1.34 1.31 1.30 1.29 1.28 1.24 1.23 1.22 1.21 1.13 1.11 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">P:z P:z P:z P:z P:y P:x P:x P:y P:y P:z P:z D:xy P:y D:xy D:xy P:x P:x P:y P:y P:y P:y P:x D:xz D:xz P:x P:z P:z P:y P:y P:x D:yz P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">64 31 54 43 37 97 35 70 47 41 45 101 26 3 16 60 25 64 31 71 49 68 3 16 42 34 67 41 45 49 101 71 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O Tc O W W O O O O O O O W W O O O O O O Tc O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.746</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="28">3.67 3.53 3.49 3.44 3.42 3.29 3.18 3.09 2.56 2.37 2.25 2.03 2.00 1.91 1.77 1.71 1.60 1.59 1.50 1.48 1.25 1.21 1.21 1.12 1.05 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:z P:x P:x P:x P:z P:z P:z D:xy P:z P:y P:y P:y P:y P:x P:z P:y P:x P:y P:z D:xy D:xy P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">69 68 42 43 44 54 97 35 98 100 36 30 36 98 47 45 64 70 41 22 31 17 4 60 25 49 71 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O Tc O O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.745</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="30">3.23 2.81 2.78 2.75 2.70 2.58 2.57 2.56 2.56 2.51 2.43 2.40 2.35 2.29 1.93 1.88 1.55 1.51 1.50 1.41 1.40 1.40 1.39 1.31 1.14 1.10 1.06 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:y P:x P:x P:y P:z P:x P:z P:x D:xz P:z P:z D:xz P:y P:y P:x P:y P:x P:x P:x P:z D:xz P:y D:x2-y2 P:z D:z2 P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">31 64 31 97 35 64 43 49 54 71 3 41 45 16 45 41 42 43 36 68 98 36 101 54 101 98 100 30 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W O O W O O O O O O O O Tc O Tc O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">413</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.85 3.77 2.61 2.59 2.57 2.50 2.45 2.45 2.45 2.38 2.36 2.36 2.33 2.30 1.72 1.70 1.67 1.51 1.36 1.36 1.34 1.28 1.28 1.24 1.21 1.20 1.20 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:z P:z D:z2 P:x P:z D:xy D:xy P:y P:y D:x2-y2 D:x2-y2 P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">99 77 55 50 85 77 94 87 99 79 24 81 56 86 88 78 103 23 85 13 8 82 57 8 13 80 53 7</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 Tc O O W W O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.670</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.03 4.03 3.81 3.78 3.75 3.37 3.36 2.92 2.57 2.54 2.47 2.45 2.15 2.14 1.88 1.47 1.47 1.46 1.46 1.45 1.44 1.35 1.32 1.21 1.21 1.13 1.13 1.06 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:z P:z P:x P:x D:z2 P:x P:x D:z2 P:y P:y P:z P:z P:y P:y P:x P:y P:x D:x2-y2 P:x D:x2-y2 P:y P:y P:y D:z2 D:z2 P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">66 33 34 67 101 65 32 100 43 54 54 43 45 41 37 70 68 14 42 1 47 67 34 1 14 62 29 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O Tc O O Tc O O O O O O O O O W O W O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">4.49 4.48 2.91 2.90 2.27 2.25 2.19 2.18 2.15 2.15 1.84 1.83 1.75 1.74 1.62 1.61 1.59 1.57 1.55 1.52 1.51 1.45 1.43 1.38 1.15 1.14 1.14 1.12 1.09 1.08 1.08 1.07 1.07 1.02 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:y P:y P:y P:y D:z2 D:z2 P:z P:x P:z P:x D:z2 D:z2 P:x P:x P:x D:z2 D:z2 P:x P:x P:x P:z P:x P:x P:x P:y P:y P:x P:y P:y P:z P:z D:xy D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">63 58 84 89 20 10 96 50 23 55 12 7 95 51 96 9 19 89 84 73 73 92 48 93 53 80 23 55 50 48 92 10 20 48 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O W W O O O O W W O O O W W O O O O 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">-10.595</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.65 5.65 3.57 3.55 3.29 3.25 2.40 2.35 2.28 2.09 2.08 2.02 1.97 1.96 1.91 1.88 1.62 1.61 1.56 1.53 1.38 1.37 1.36 1.36 1.20 1.20 1.11 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:x P:x P:y P:y P:y P:y P:z D:xy D:xy P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">69 44 47 70 49 71 31 64 30 14 1 38 71 49 71 49 25 60 64 31 44 69 70 47 32 65 42 68 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O W W O O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.88 7.85 6.18 6.13 3.90 3.90 2.85 2.84 2.24 2.24 2.19 2.16 2.05 2.01 1.51 1.50 1.16 1.15</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:y P:y P:y P:y P:y P:y D:z2 D:z2 P:z P:z D:yz D:yz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">44 69 47 70 31 64 62 29 32 65 2 15 64 31 3 16 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.572</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.20 8.17 4.97 4.96 3.35 3.34 3.24 3.24 3.13 2.10 2.08 2.07 2.00 1.80 1.78 1.61 1.59 1.26 1.25 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:y P:z P:z P:y P:y P:x P:x P:x D:yz D:yz P:z P:z D:xz D:xz D:xy D:xy P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">68 42 70 47 49 71 70 47 37 1 14 37 26 17 4 1 14 69 44 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O W W O O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.61 8.34 3.81 3.78 3.54 3.49 2.94 2.88 2.75 2.66 2.28 2.23 1.65 1.61 1.26 1.26 1.23 1.21 1.15 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:y P:y P:z P:z P:x P:x P:y P:y P:z P:z D:xy D:xy P:z P:z P:y P:x P:x P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">85 86 77 99 94 87 74 76 55 50 7 12 79 24 57 53 80 82 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O W W O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.74 3.69 3.67 3.43 2.99 2.99 2.60 2.52 2.26 2.24 2.23 2.22 2.15 1.95 1.90 1.86 1.84 1.82 1.79 1.73 1.33 1.26 1.04 1.02 1.02 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 P:y P:y P:z P:z P:z P:z D:yz P:y P:y D:yz P:z P:x P:z P:x P:z P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">70 47 64 31 47 70 42 68 14 98 36 1 28 30 35 45 97 41 70 47 98 36 40 31 44 69 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W O O W O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">421</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.86 8.79 3.53 3.51 3.13 3.12 2.92 2.90 2.60 2.58 2.36 2.34 2.18 2.16 1.59 1.58 1.42 1.37 1.35 1.28 1.25 1.20 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y D:x2-y2 D:x2-y2 P:x P:x D:z2 D:z2 P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">49 71 42 68 31 64 66 33 34 67 5 18 49 71 5 18 26 44 69 31 64 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W W O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.533</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.27 5.20 4.90 4.85 4.43 4.38 4.04 4.04 3.31 3.28 2.50 2.47 1.91 1.46 1.44 1.35 1.33 1.05 1.04 1.02 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">P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:z P:y P:y P:z P:z D:z2 P:x D:z2 D:z2 P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411</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 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">24 79 53 80 79 24 99 77 99 77 94 87 86 87 94 79 24 8 80 6 13 53 11</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 W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.523</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">423</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.22 4.21 3.20 3.12 3.11 3.09 2.94 2.93 2.48 2.43 2.41 2.12 2.10 2.04 2.01 1.80 1.63 1.60 1.46 1.45 1.44 1.44 1.43 1.34 1.34 1.16 1.13 1.09 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:y P:z D:xy P:z P:x P:x D:xy P:z P:z P:x P:x D:xy D:xy P:y P:y P:y D:xz P:y D:xz P:y P:y P:z P:z P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">84 89 23 92 102 48 83 59 103 78 88 90 72 10 20 21 89 84 20 96 10 39 85 77 99 84 89 81 56 63 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O Tc O O O Tc O O O O W W O O O 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">-10.496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">424</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.35 9.34 4.28 4.28 2.66 2.64 2.32 2.32 2.20 2.18 2.18 2.17 2.02 1.79 1.79 1.77 1.76 1.45 1.38 1.36 1.27 1.26 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y D:yz D:z2 D:z2 P:x P:x P:y P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">42 68 27 61 69 44 35 97 25 60 44 69 101 17 4 64 31 40 71 49 49 71 52 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O Tc W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.462</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.88 3.84 3.81 3.79 3.22 3.17 2.45 2.40 2.22 2.20 2.19 2.12 2.10 1.95 1.94 1.92 1.91 1.85 1.84 1.77 1.77 1.75 1.70 1.50 1.49 1.39 1.36 1.32 1.31 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y D:z2 D:z2 P:x P:x P:x P:x P:z P:z P:y P:z P:y P:z D:z2 D:z2 P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="31">92 78 88 48 79 24 53 80 93 24 79 13 8 63 58 72 90 77 99 80 73 53 86 19 9 81 56 87 94 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O W W O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">426</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.39 6.18 4.48 4.40 3.10 2.94 2.87 2.26 2.24 2.19 2.13 2.09 2.09 2.07 2.02 1.81 1.75 1.65 1.53 1.50 1.43 1.38 1.30 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:x P:z P:x P:x P:x D:x2-y2 P:z P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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="25">27 61 49 71 38 68 42 68 31 42 31 64 64 68 42 101 98 36 26 69 44 31 64 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O Tc O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">427</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.32 5.18 4.51 4.28 2.82 2.38 2.32 2.30 2.29 1.90 1.88 1.86 1.83 1.80 1.80 1.76 1.75 1.67 1.59 1.39 1.36 1.34 1.28 1.25 1.18 1.17 1.13 1.08 1.04 1.04 1.02 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:z P:x P:x D:yz P:z P:x P:z P:x P:x P:x P:x P:y P:z P:x P:y P:z P:z P:z P:z P:y P:z P:y P:y P:y P:y P:z P:x D:xz P:x P:z P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">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 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">64 31 61 27 100 36 25 98 60 42 44 69 64 62 68 31 29 42 68 44 37 69 97 35 54 43 71 64 16 36 49 98 3 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">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 W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">428</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">20.27 15.09 4.47 4.46 2.64 2.60 2.56 2.29 2.25 2.23 1.78 1.77 1.76 1.27 1.25 1.17 1.13 1.13 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">P:y P:y P:z P:z P:x P:x P:y P:x P:x P:y P:y D:xz D:xz P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">73 93 24 79 24 79 86 80 53 85 96 6 11 88 78 91 76 75 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.400</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">429</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">13.23 12.63 2.49 2.43 2.35 2.26 2.15 2.01 1.91 1.70 1.68 1.23 1.16 1.14 1.13 1.04 1.02 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:y P:z P:z P:z P:y P:y P:z P:x P:y P:x P:z D:yz P:z P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411</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 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">63 58 92 55 50 92 48 55 48 89 50 84 95 11 78 89 76 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.78 3.31 3.27 3.02 2.92 2.82 2.81 2.68 2.27 2.01 2.00 1.93 1.84 1.74 1.73 1.63 1.55 1.43 1.39 1.27 1.25 1.24 1.24 1.21 1.12 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:y P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:x P:y P:x P:x D:xy D:x2-y2 D:x2-y2 P:z P:x P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">85 91 75 83 59 82 57 86 39 77 82 57 79 99 73 84 24 103 20 10 87 89 94 21 63 58</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 Tc W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">431</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">5.19 4.72 3.79 3.74 3.39 3.38 1.98 1.85 1.85 1.76 1.67 1.60 1.54 1.44 1.41 1.40 1.36 1.35 1.32 1.31 1.29 1.27 1.23 1.22 1.20 1.14 1.13 1.12 1.12 1.10 1.07 1.07 1.04 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:x P:x P:z P:z P:z P:z D:xz D:xz P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:x P:y P:x P:y P:x P:x P:x P:x P:x D:xz D:xy P:x D:xy D:z2 D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411</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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">73 85 89 84 83 59 57 82 10 20 88 78 55 99 50 77 81 56 76 74 86 95 53 51 59 80 92 48 83 7 8 93 13 8 12 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O W W O O O O O O O O O O O O O O O O O O O W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">432</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.04 4.99 4.15 3.14 2.98 2.95 2.63 2.51 2.11 2.00 1.99 1.98 1.95 1.88 1.75 1.64 1.63 1.56 1.49 1.42 1.42 1.40 1.36 1.30 1.30 1.25 1.21 1.19 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:z P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:x P:y P:x P:y D:xy P:z D:xy P:z P:z P:z P:y P:z D:xy P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 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 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">48 92 86 85 50 55 63 58 50 55 83 78 59 88 95 92 51 48 9 94 19 81 87 56 39 82 103 57 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 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">-10.345</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">433</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.86 5.77 3.83 3.24 2.92 2.74 2.73 2.35 2.34 2.21 1.77 1.75 1.73 1.73 1.66 1.65 1.53 1.52 1.34 1.33 1.18 1.16 1.14 1.13 1.10 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:x P:x P:z P:z P:z P:x P:x P:z P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">70 47 40 38 40 69 44 42 68 22 41 45 64 31 31 64 52 46 25 60 46 52 54 43 52 71 49 46</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">-10.322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">434</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.44 3.42 3.36 3.12 2.92 2.69 2.57 2.30 2.18 1.98 1.96 1.91 1.82 1.63 1.62 1.45 1.37 1.36 1.36 1.32 1.24 1.18 1.18 1.17 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:x P:x P:x P:y P:x P:y D:x2-y2 P:y P:x P:y P:z P:y P:x P:z P:y P:y P:y D:x2-y2 P:x D:xz P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">89 39 57 21 82 84 78 92 88 102 59 48 58 78 83 23 59 47 70 63 103 96 13 83 10</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 Tc O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.321</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">435</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.27 6.53 3.60 2.75 2.70 2.42 2.33 2.21 2.06 1.90 1.67 1.63 1.61 1.54 1.43 1.36 1.36 1.33 1.32 1.31 1.28 1.26 1.26 1.21 1.19 1.18 1.17 1.03 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:x P:y P:x P:y P:y P:x P:z D:xy P:x P:z D:xy P:z P:y P:x P:y P:z P:y P:y P:z P:y P:y P:x P:y D:xy P:z P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">88 78 84 89 63 56 58 93 81 51 13 48 95 8 50 75 82 89 55 73 83 80 91 88 92 84 20 53 81 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W O O W 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">-10.295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.53 4.49 2.76 2.74 2.15 2.13 2.07 2.04 2.02 1.99 1.85 1.77 1.75 1.71 1.60 1.52 1.26 1.24 1.22 1.19 1.18 1.16 1.16 1.12 1.11 1.07 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">P:y P:y P:z P:z P:x P:z P:x P:z D:xz D:xz P:x P:z P:y P:y P:z P:z D:yz D:yz P:x P:y P:y P:z P:x P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">48 92 63 58 83 48 59 92 9 19 93 73 82 57 82 57 6 11 39 47 70 56 50 84 81 89 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W W O O O O O O W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.48 4.05 3.71 3.63 2.11 2.11 1.70 1.69 1.63 1.62 1.53 1.52 1.51 1.30 1.30 1.29 1.29 1.17 1.17 1.10 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:z P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">38 38 47 70 49 71 42 68 61 27 25 60 40 44 69 49 71 44 69 92 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.07 4.04 3.99 3.54 3.52 3.17 3.16 2.81 2.80 2.79 2.23 2.19 2.08 2.08 1.98 1.88 1.87 1.69 1.65 1.51 1.47 1.37 1.37 1.24 1.23 1.15 1.14 1.13 1.10 1.09 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z D:z2 P:x P:x P:x P:x D:z2 D:z2 D:z2 P:y P:y P:z P:z P:x P:y P:y P:y P:y P:z P:z P:y P:y D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 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 99 102 94 87 80 53 103 6 11 59 83 79 24 73 57 82 56 81 81 56 51 95 6 11 88 57 78 82 83 95 59 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O Tc O O O O Tc W W O O O O O O O O O O O O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">439</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.47 5.46 5.06 4.74 3.50 3.50 3.06 3.03 2.86 2.84 2.47 2.46 2.44 2.44 1.91 1.90 1.76 1.75 1.68 1.64 1.46 1.41 1.40 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:y P:y P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y D:xy P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">42 68 38 40 46 52 69 44 71 49 44 64 69 31 71 49 42 68 49 71 104 47 70 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">440</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.88 6.81 3.52 3.49 2.71 2.65 2.50 2.12 2.07 2.07 2.07 2.05 2.03 1.95 1.76 1.49 1.34 1.34 1.28 1.22 1.21 1.21 1.19 1.18 1.16 1.16 1.14 1.09 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:z P:y P:z P:y P:y D:z2 D:z2 D:xy P:y P:y D:z2 D:z2 P:y D:yz P:y D:yz P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">58 63 48 92 89 84 86 85 24 79 80 92 53 48 39 93 19 9 103 99 77 20 10 78 9 96 19 87 94 88 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 W W Tc O O W W O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.77 6.77 6.66 6.62 4.36 4.29 4.26 3.56 3.56 2.55 2.54 1.80 1.79 1.76 1.75 1.67 1.67 1.61 1.58 1.57 1.55 1.55 1.51 1.49 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:y P:z P:z P:y P:x P:x P:z P:z P:y P:y P:z P:z D:z2 D:z2 D:xy D:xy P:y D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</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 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">64 31 44 69 28 70 47 47 70 69 44 62 29 2 15 14 1 30 15 2 14 1 69 44 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O W W W W O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.186</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">442</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.85 7.72 7.54 7.50 4.26 4.21 3.66 3.62 2.80 2.74 2.02 1.66 1.47 1.45 1.40 1.32 1.29 1.22 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:x P:x P:y P:y P:y P:y D:xy D:xy P:y P:y P:z P:x P:z P:z P:z P:z P:z D:xz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 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="21">58 63 78 88 55 50 11 6 89 84 86 86 85 87 94 63 58 8 13 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W 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">-10.171</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.36 10.07 5.54 5.53 3.85 3.74 2.41 2.39 2.16 2.15 1.93 1.91 1.63 1.60 1.31 1.30 1.24 1.23 1.20 1.18 1.16 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x P:y P:y P:z D:yz P:z D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">55 50 92 48 88 78 99 77 87 94 12 7 7 12 48 92 80 53 89 9 84 19 85</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 O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.82 6.80 4.41 4.32 3.03 3.01 2.02 1.65 1.61 1.54 1.53 1.51 1.50 1.47 1.41 1.38 1.36 1.34 1.33 1.33 1.27 1.16 1.15 1.14 1.12 1.10 1.10 1.10 1.05 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:z P:z P:y P:y D:yz D:yz P:z P:y P:y P:x P:x P:y P:y P:z P:x P:x P:x P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="31">63 58 89 84 6 11 96 48 92 59 83 57 82 73 50 73 55 24 93 79 23 20 10 81 56 95 57 51 82 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O W W O O O O O O O O O O O O O O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">445</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.75 8.72 5.34 5.29 3.75 3.73 3.42 3.39 3.38 3.32 3.30 1.86 1.85 1.62 1.61 1.61 1.59 1.59 1.55 1.52 1.51 1.51 1.50 1.46 1.45 1.45 1.34 1.33 1.21 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:y P:x P:x P:z P:z P:y P:z P:z D:z2 D:z2 P:z P:z P:y P:y P:y P:y D:xy D:xy D:xy D:xy D:yz P:y D:yz D:x2-y2 D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">42 68 71 49 47 70 49 71 26 47 70 5 18 66 33 33 70 66 47 4 1 14 17 1 37 14 5 18 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O W W O O O O O O W W W W W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">446</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.68 7.51 3.61 3.43 3.32 2.72 2.57 2.36 2.27 2.19 2.14 2.02 2.00 1.89 1.76 1.72 1.68 1.64 1.63 1.61 1.61 1.60 1.60 1.55 1.51 1.48 1.27 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z P:z D:x2-y2 P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">50 55 39 78 88 55 50 84 89 76 74 78 88 23 92 48 103 63 58 78 88 89 84 92 48 85 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O Tc O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.082</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">447</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.05 7.95 5.73 5.58 3.17 3.16 2.68 2.61 1.88 1.87 1.83 1.38 1.35 1.24 1.18 1.17 1.16 1.10 1.10 1.05 1.03 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:z P:z P:z P:y P:y P:x P:x P:y P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">88 78 89 84 48 92 88 78 86 50 55 53 80 89 84 92 48 50 55 89 84 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.078</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">9.11 9.09 5.56 3.57 3.00 2.98 2.76 2.74 1.83 1.81 1.79 1.78 1.77 1.76 1.74 1.73 1.70 1.67 1.53 1.53 1.44 1.28 1.22 1.14 1.13 1.13 1.13 1.12 1.12 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:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y D:xy P:z P:z P:z P:x P:z P:z P:x P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">49 71 26 38 69 44 45 41 31 64 67 34 43 54 98 36 70 47 46 52 101 31 64 35 31 66 97 64 33 100</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 Tc</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">449</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.77 5.77 5.28 5.26 5.19 5.14 2.98 2.95 2.88 2.87 2.39 2.37 1.47 1.45 1.44 1.44 1.31 1.28 1.17 1.17 1.15 1.11 1.10 1.10 1.09 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">42 68 52 46 64 31 70 47 69 44 49 71 64 31 68 42 41 45 35 97 97 35 54 40 43 47 70</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">-10.053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.34 6.33 4.45 3.08 2.60 2.60 2.38 2.37 2.32 2.29 2.27 1.99 1.97 1.67 1.67 1.64 1.62 1.57 1.56 1.27 1.27 1.24 1.23 1.22 1.22 1.16 1.15 1.15 1.14 1.13 1.13 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z D:z2 D:z2 P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">44 69 28 40 32 65 34 67 36 98 26 97 35 27 61 68 42 33 66 15 2 45 54 43 41 32 65 62 29 29 62 70 47</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 W W O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.986</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">451</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.71 9.68 6.80 6.70 4.54 4.44 4.33 2.81 2.80 2.48 2.32 2.32 1.74 1.50 1.49 1.38 1.24 1.09 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:z P:z P:z P:z P:z P:z P:z P:x P:y P:y P:z P:y P:y P:x D:z2 P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">63 58 84 89 48 92 96 90 72 21 72 90 23 84 89 39 105 50 96 55</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 P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.958</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.96 8.86 4.92 4.83 3.77 3.75 3.45 3.43 3.33 3.09 2.26 2.23 2.17 2.15 1.53 1.52 1.37 1.36 1.12 1.12 1.12 1.09 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:x P:x P:x P:x P:y P:y P:y P:y D:yz D:yz P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">76 74 91 75 95 51 81 56 102 103 79 24 99 77 82 57 59 83 99 77 55 89 50 84 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O Tc Tc O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">9.37 7.53 6.04 4.33 3.65 3.61 2.76 2.75 2.64 2.05 2.05 1.88 1.88 1.81 1.71 1.70 1.65 1.43 1.42 1.32 1.31 1.29 1.28 1.21 1.21 1.13 1.12 1.03 1.03 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 P:x P:x D:x2-y2 P:y P:y P:y P:y P:z P:z P:z P:z P:z P:x P:y P:y P:z P:z P:z P:z P:z P:y P:y P:z D:z2 D:z2 D:z2 P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">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 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">101 26 30 101 27 61 60 25 30 41 45 98 36 37 35 97 26 66 33 25 60 43 54 37 100 1 14 61 27 65 32 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc O O Tc O O O O O O O O O O O O O O O O O O O O Tc W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.61 5.11 5.07 4.11 4.09 3.38 2.79 2.78 2.58 2.56 2.36 2.34 2.10 2.07 1.91 1.89 1.84 1.82 1.77 1.75 1.67 1.65 1.64 1.64 1.59 1.57 1.27 1.12 1.11 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:x P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">37 66 33 42 68 26 31 64 34 67 70 47 68 42 33 66 61 27 46 52 47 45 70 41 29 62 28 71 49 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.858</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">455</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.42 5.30 5.26 4.09 4.03 3.88 3.77 3.76 3.07 3.01 2.92 2.87 2.85 2.81 2.67 2.66 2.14 2.13 1.82 1.77 1.76 1.54 1.49 1.23 1.23 1.13 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:y P:x P:x P:x P:x P:y P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x P:z D:xy P:z P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">23 90 72 88 78 96 48 92 50 55 55 50 50 55 84 89 63 58 84 105 89 84 89 75 91 48 92</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 P O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.828</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">456</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.53 6.09 4.81 4.81 4.19 4.17 2.95 2.92 2.36 2.34 1.91 1.91 1.73 1.72 1.69 1.69 1.61 1.59 1.48 1.48 1.46 1.45 1.35 1.27 1.26 1.25 1.24 1.18 1.17 1.17 1.16 1.05 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:y P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:y P:z P:z P:y P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">30 28 62 29 65 32 29 62 64 31 70 47 62 29 36 98 69 44 32 65 36 98 37 45 41 66 33 32 44 69 65 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.76 7.64 4.14 4.05 3.79 2.55 2.31 2.26 2.21 2.19 2.15 2.13 1.91 1.86 1.85 1.84 1.73 1.71 1.64 1.62 1.58 1.57 1.50 1.40 1.17 1.15 1.12 1.12 1.08 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:z P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">74 76 75 91 23 96 50 55 84 89 56 81 83 59 95 51 59 83 90 72 78 88 93 86 83 59 86 51 95 56 81</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">-9.778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.83 9.71 7.61 7.59 5.96 5.92 3.14 3.07 2.77 2.76 2.62 2.61 1.62 1.62 1.44 1.40 1.37 1.37 1.26 1.26 1.17 1.16 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z D:z2 D:z2 D:xy D:xy P:y P:z P:y P:z D:x2-y2 D:x2-y2 P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411</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 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">50 55 88 78 63 58 55 50 58 63 12 7 11 6 58 78 63 88 12 7 48 92 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 W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">8.60 8.37 7.84 7.83 6.42 6.34 6.02 5.91 2.85 2.84 2.56 2.56 2.09 2.08 1.89 1.69 1.67</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:z P:y P:y P:z P:z P:y P:y D:z2 D:z2 P:x P:x D:x2-y2 D:x2-y2 P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">89 84 48 92 63 58 84 89 10 20 58 63 20 10 73 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O 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">-9.734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">16.57 6.40 5.93 5.92 4.47 3.74 3.73 3.38 2.30 2.30 2.12 2.11 1.78 1.72 1.72 1.55 1.54 1.53 1.37 1.32 1.31 1.12 1.11 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:z P:x P:x P:z P:x P:x D:x2-y2 P:x P:x P:z P:z D:xz P:x P:x P:x P:x D:xz D:z2 P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">22 22 44 69 38 46 52 100 71 49 42 68 100 98 36 47 70 101 100 25 60 35 97 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O Tc O O O O Tc O O O O Tc Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">12.16 10.24 4.76 4.75 4.27 4.26 3.28 3.23 2.21 2.20 2.05 2.02 1.58 1.28 1.27 1.14 1.12 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">P:y D:xy P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z D:xy P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">22 100 52 46 70 47 35 97 69 44 45 41 101 42 68 30 40 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O Tc O O O O O O O O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.32 4.98 4.76 4.48 3.71 3.56 3.41 3.29 3.24 3.16 2.21 2.18 2.07 1.77 1.73 1.71 1.58 1.58 1.44 1.22 1.21 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:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:y P:z P:y P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">78 88 89 84 72 90 55 92 48 50 63 58 78 88 95 95 96 51 51 59 23 89</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">-9.691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">2.67 2.63 2.58 2.55 2.45 2.44 2.42 2.40 2.24 2.23 2.18 2.08 2.07 2.06 2.04 1.94 1.89 1.87 1.57 1.56 1.33 1.33 1.31 1.23 1.22 1.21 1.17 1.17 1.14 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:z P:y P:z P:y P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x D:xz P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">35 97 31 64 29 62 26 30 27 61 38 34 71 67 49 28 32 65 66 33 39 98 36 52 101 46 37 43 54 41 45</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 Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.71 5.29 5.24 5.23 5.12 4.41 3.71 3.67 3.24 2.95 2.91 2.57 2.52 2.07 1.85 1.83 1.48 1.47 1.30 1.24 1.18 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y D:xy P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:z P:x P:z P:z P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">84 88 103 89 78 39 85 82 57 83 56 81 59 50 51 55 84 95 50 96 55 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.654</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.33 5.45 3.65 3.63 3.40 3.39 3.26 3.22 3.07 3.05 2.06 2.05 1.85 1.84 1.83 1.82 1.64 1.63 1.50 1.49 1.42 1.40 1.15 1.15 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">D:xz P:z P:x P:x P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:x P:x P:x P:x P:x P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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="26">101 38 45 41 36 98 31 64 71 49 71 49 25 60 69 44 27 61 42 68 54 43 30 26 52 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">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">-9.617</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">466</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.48 5.55 4.04 3.98 2.67 2.65 2.50 2.49 2.07 2.04 1.44 1.43 1.35 1.33 1.30 1.30 1.23 1.13 1.10</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 D:xy D:xy P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:y P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 103 101 23 90 72 58 63 50 55 48 92 78 84 88 89 22 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O Tc Tc O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">467</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.57 4.12 4.09 3.95 2.95 2.93 2.92 2.91 2.46 2.45 2.14 2.12 2.11 2.07 2.02 2.02 1.95 1.94 1.47 1.47 1.34 1.27 1.27 1.15 1.12 1.10 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:y P:x P:x P:y P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:y P:x P:x D:yz D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">73 74 76 85 94 87 80 53 95 51 84 89 82 57 99 77 59 83 53 80 96 79 24 102 9 19 51 95</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 Tc W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">468</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.11 4.43 3.67 2.65 2.41 2.39 2.28 2.27 1.98 1.98 1.69 1.68 1.65 1.61 1.57 1.57 1.56 1.53 1.49 1.47 1.28 1.26 1.25 1.25 1.20 1.19 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy P:y D:xy P:y P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:x P:y P:y P:x P:x P:x P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">101 39 103 22 49 71 36 98 97 35 90 72 45 41 60 58 63 25 31 64 42 68 54 43 46 52 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc 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">-9.522</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">469</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">16.65 4.56 3.48 2.41 1.86 1.82 1.82 1.74 1.73 1.64 1.56 1.48 1.38 1.37 1.30 1.28 1.26 1.13 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:z D:xz P:x D:x2-y2 P:y P:y P:y P:y D:x2-y2 P:x D:z2 P:z P:z P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 40 101 22 101 35 97 45 41 103 21 101 44 69 71 49 23 35 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O Tc O Tc O O O O Tc O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">470</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">15.54 4.24 3.23 3.21 2.44 2.43 2.16 2.11 2.10 1.59 1.47 1.39 1.35 1.03 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 D:xz P:z P:x P:y P:y P:y P:y D:x2-y2 P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">39 101 40 21 41 45 35 97 103 28 38 27 61 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O Tc O O O O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">471</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.02 5.32 4.24 3.65 3.04 2.57 2.57 2.48 2.38 2.34 2.24 2.24 2.20 2.16 2.00 1.96 1.90 1.85 1.57 1.55 1.50 1.45 1.41 1.38 1.33 1.32 1.24 1.23 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:y P:y D:xy P:y P:y P:z P:z P:y P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">21 73 102 85 39 92 48 86 77 99 78 88 57 82 24 79 89 84 90 72 63 58 76 74 87 94 80 53 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O Tc O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">472</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.68 4.68 4.30 4.30 3.69 3.68 3.61 3.60 2.83 2.81 2.40 2.39 1.82 1.76 1.75 1.68 1.67 1.55 1.51 1.51 1.45 1.44 1.41 1.40 1.39 1.39 1.32 1.30 1.29 1.29 1.29 1.29 1.20 1.20 1.19 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:z P:z D:xy P:x P:x P:y P:y P:y P:x P:x D:xy D:xy P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">98 36 45 41 52 46 97 35 66 33 34 67 101 29 62 68 42 26 44 69 15 2 71 49 32 65 43 54 60 25 31 64 3 16 40 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O Tc O O O O O O O W W O O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.455</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">22.82 6.56 6.44 3.46 3.38 2.85 2.54 2.53 2.46 2.40 2.27 1.61 1.59 1.58 1.57 1.44 1.38 1.37 1.31 1.21 1.17 1.17 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:x P:x P:x D:xz P:x P:x P:x P:x P:z P:x P:z P:z P:z P:z P:x D:x2-y2 P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">21 78 88 90 72 102 63 58 92 48 96 96 89 84 21 86 81 102 56 76 74 23 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O Tc O O O O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.387</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">9.69 7.08 5.45 5.31 3.69 3.68 2.78 2.72 2.71 2.65 1.90 1.87 1.87 1.86 1.79 1.77 1.42 1.38 1.36 1.34 1.26 1.23 1.19 1.14 1.14 1.14 1.11 1.09 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:xy P:y P:y P:x P:x P:y P:y P:x P:x P:z P:x P:x P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">21 102 86 85 94 87 82 57 77 99 77 84 89 99 72 90 87 99 94 77 58 63 51 87 95 94 90 72 50 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O Tc O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">475</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.95 5.95 5.22 5.21 4.11 4.10 4.08 4.08 3.45 3.36 2.16 2.16 1.95 1.94 1.45 1.45 1.22 1.21 1.17 1.16 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">P:x P:x P:x P:x P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">46 52 27 61 97 35 54 43 40 38 98 36 67 34 32 65 49 71 68 42 31 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">-9.317</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.47 6.74 5.52 5.48 4.50 4.46 4.39 2.49 2.40 2.13 2.10 1.96 1.93 1.80 1.72 1.64 1.63 1.62 1.55 1.53 1.44 1.44 1.37 1.34 1.32 1.29 1.23 1.18 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:x P:x P:z P:y P:z P:y P:y P:z P:z P:z P:z P:x P:x P:z P:y D:xy P:z P:y P:y P:y P:z P:y P:y P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">73 93 53 80 24 21 79 89 84 83 59 82 57 24 79 80 79 102 53 24 59 53 77 80 83 99 86 82 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 Tc O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.309</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.01 5.93 3.75 3.52 2.84 2.60 2.11 1.98 1.54 1.49 1.47 1.42 1.41 1.39 1.30 1.29 1.23 1.19 1.16 1.12 1.11 1.11 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 D:xz P:x P:x D:z2 P:z P:x P:x P:z P:x P:z P:z P:z P:x P:z P:z P:y P:z P:z P:z P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.00 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 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">39 103 92 48 103 23 55 50 51 95 95 50 55 51 76 74 83 81 93 56 59 26 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O Tc O O Tc O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.279</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">478</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.29 2.46 2.41 1.94 1.93 1.85 1.85 1.67 1.66 1.52 1.52 1.46 1.45 1.44 1.44 1.44 1.41 1.41 1.40 1.39 1.39 1.38 1.37 1.37 1.32 1.32 1.21 1.20 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x D:xz P:x P:x P:x P:z P:z P:y P:y P:z P:z D:z2 P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">26 101 30 62 29 25 60 98 36 41 45 103 67 34 97 35 66 33 54 43 68 42 62 29 32 65 37 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O Tc 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</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">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.52 5.48 4.80 3.55 3.50 3.28 3.01 2.99 2.56 2.49 2.48 2.45 2.09 2.08 2.07 1.88 1.88 1.86 1.47 1.47 1.43 1.22 1.21 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 D:xz P:y P:y P:x P:y P:y P:z P:y P:y D:x2-y2 P:z D:z2 P:z P:z P:z D:z2 P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">74 76 93 85 86 103 95 51 73 75 91 39 56 81 103 57 102 82 90 72 103 83 59 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O Tc O O O O O O O O Tc O Tc O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">480</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.06 3.94 2.82 1.92 1.90 1.57 1.56 1.51 1.49 1.47 1.37 1.36 1.28 1.27 1.27 1.25 1.23 1.22 1.22 1.21 1.17 1.14 1.14 1.12 1.11 1.07 1.04 1.04 1.04 1.03 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:z P:z D:xz P:z P:z P:z P:x P:x P:x P:y P:y P:y P:z P:y P:z P:z P:y P:x P:y P:x P:y P:y P:x P:x P:z P:y P:x P:y P:y D:z2 P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">22 40 39 103 85 43 54 28 57 82 79 24 87 22 94 93 73 77 55 99 50 98 36 27 61 96 91 86 80 53 100 75 40 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O Tc O O O O O O O O O O O O O O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.202</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">481</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.81 4.35 2.44 2.26 2.22 1.96 1.95 1.89 1.44 1.42 1.41 1.39 1.28 1.20 1.14 1.12 1.09 1.07 1.06 1.04 1.03 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:z P:x D:xz P:x P:x P:z P:z P:z P:x P:z P:z P:z P:x P:z D:xz P:y P:x P:x P:z P:x P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 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 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">40 22 103 21 28 43 39 54 39 85 98 36 40 22 100 36 27 61 73 38 98 100 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O Tc 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">-9.199</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">5.96 5.91 3.26 3.26 2.96 2.94 2.37 2.34 2.33 2.24 2.03 2.01 1.88 1.77 1.77 1.73 1.73 1.52 1.51 1.51 1.50 1.47 1.45 1.45 1.45 1.41 1.39 1.34 1.34 1.32 1.27 1.27 1.20 1.13 1.12 1.11 1.10 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">P:y P:y P:y P:y D:z2 D:z2 P:z P:z P:y P:y P:z P:z P:y P:x P:y P:y P:x P:x P:y P:x P:y P:y P:y P:z P:z P:y P:z P:z P:z P:z D:xy D:xy P:y P:y D:xy P:y D:xy D:x2-y2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="40">43 54 25 60 1 14 60 25 98 36 52 46 37 32 27 61 65 34 41 67 97 45 35 27 61 40 32 65 66 33 17 4 38 46 18 52 5 14 1 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">O O O O W W O O O O O O O O O O O O O O O O O O O O O O O O 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">-9.096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">15.87 7.46 7.43 5.77 3.09 3.09 2.51 2.50 2.24 2.22 1.95 1.75 1.75 1.66 1.66 1.65 1.64 1.48 1.38 1.38 1.37 1.36</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 D:xy P:z P:z P:z P:z P:x P:x P:y P:z P:z P:z P:z P:y P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">38 52 46 101 64 31 49 71 64 31 40 97 35 68 42 25 60 22 70 47 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O Tc O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.065</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.06 6.28 6.06 5.26 4.49 3.54 3.51 3.29 3.27 3.26 3.16 2.83 2.69 2.59 2.47 2.45 2.23 1.88 1.88 1.57 1.16 1.13 1.13 1.11 1.09 1.08 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 P:x D:z2 P:x P:x D:x2-y2 P:z P:z P:x P:z P:x P:y P:y P:x P:x P:x D:x2-y2 P:x P:x P:z P:y P:z P:x P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 37 101 28 30 100 98 37 67 36 34 43 54 66 33 26 101 32 65 30 60 45 62 29 25 60 41 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc O Tc O O Tc O O O O O O O O O O Tc O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">12.20 10.01 5.38 4.14 4.09 3.50 3.25 2.82 2.80 2.59 2.58 2.46 2.41 2.39 2.32 2.13 2.12 1.61 1.54 1.51 1.36 1.31</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y D:xy P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">40 22 100 43 54 36 98 42 68 97 35 25 61 27 60 46 52 41 38 45 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.032</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.48 5.47 4.94 4.83 4.02 3.58 3.57 2.63 2.20 2.17 2.11 2.10 1.89 1.87 1.84 1.83 1.81 1.80 1.77 1.75 1.73 1.68 1.59 1.57 1.55 1.41 1.27 1.07 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:z P:z P:y P:z P:z P:y P:z P:z P:y P:y P:z P:z P:x P:y P:y P:x P:x P:x P:y P:y P:y P:x P:x P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">72 90 59 83 96 82 57 23 53 80 95 51 87 94 91 48 92 75 77 99 78 88 93 89 84 73 85 86 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">487</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.36 5.43 5.06 3.60 3.47 3.45 2.91 2.90 2.71 1.89 1.89 1.49 1.49 1.48 1.48 1.46 1.45 1.43 1.41 1.21 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:x P:z P:x P:z P:x P:x P:x P:x D:xz P:x P:x P:z P:z P:z P:x P:z P:x P:z P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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="22">21 23 39 96 23 96 90 72 102 58 63 50 84 55 97 89 35 78 88 26 85 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">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">-8.967</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.37 5.65 4.70 4.66 3.75 3.42 3.36 3.32 3.24 3.17 2.90 2.83 2.39 1.88 1.79 1.69 1.39 1.15 1.14 1.13 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:y P:x P:z P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x P:x P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">26 28 33 66 22 22 65 32 34 67 62 29 30 37 36 98 28 25 67 34 26 60</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">-8.959</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.38 7.34 5.88 5.81 5.16 5.13 4.70 4.63 4.37 4.32 3.35 3.28 2.59 2.58 2.20 2.19 1.68 1.65 1.24 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:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">27 61 45 41 35 97 98 36 54 43 60 25 61 27 41 45 98 36 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.940</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.50 5.09 4.43 4.35 3.36 3.27 3.03 2.93 2.66 2.51 2.45 2.34 2.31 2.26 2.22 2.03 1.95 1.81 1.78 1.77 1.75 1.72 1.65 1.54 1.48 1.46 1.41 1.24 1.22 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:y P:x P:y P:x P:x P:x P:x P:z P:x P:x P:x P:z P:x P:y P:z P:x P:x P:y P:z P:z P:x P:z P:x P:z P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 57 21 82 59 83 84 89 83 75 76 91 59 53 51 21 99 74 95 81 99 80 23 77 77 86 81 56 56 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.937</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.89 4.41 4.16 3.10 2.73 2.70 2.59 2.46 2.45 2.39 2.22 2.10 1.95 1.73 1.61 1.41 1.36 1.35 1.34 1.32 1.29 1.29 1.24 1.22 1.21 1.17 1.07 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:x P:x P:z P:z P:y P:x P:x P:z P:z P:y P:x P:y P:x P:x P:y P:y P:y P:y P:z P:z P:x P:x P:z P:y P:z D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="30">23 72 90 74 51 56 96 80 76 95 81 82 53 95 77 94 81 56 57 51 57 80 87 99 82 84 53 7 89 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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.82 4.82 4.65 4.41 3.94 3.11 3.00 2.98 2.81 2.78 2.49 2.08 2.06 1.79 1.79 1.77 1.77 1.70 1.69 1.62 1.61 1.58 1.33 1.30 1.27 1.24 1.24 1.24 1.23 1.18 1.15 1.15 1.13 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:x P:z P:z D:xz P:x P:x P:x P:x P:x P:z P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:x P:y P:y P:z P:y P:y P:z P:y P:y P:y P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">43 54 22 26 100 22 31 64 68 42 38 62 29 42 68 97 35 46 52 45 41 28 30 29 62 31 34 67 64 42 32 68 65 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O Tc O O O O O O O O O O O O O O O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.34 3.02 2.47 2.47 2.41 2.40 2.31 2.29 2.26 2.26 2.08 2.06 2.00 1.99 1.97 1.79 1.74 1.74 1.73 1.63 1.61 1.55 1.36 1.36 1.27 1.23 1.08 1.07 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y P:z P:y P:z P:x P:x P:x P:z P:z P:x P:y P:y D:xz P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">39 28 97 35 27 61 43 54 71 49 45 41 32 22 65 37 26 67 34 33 66 22 33 66 100 40 45 41 52 46</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 Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.99 10.91 8.77 6.11 6.06 3.98 3.78 3.71 3.35 3.30 3.14 3.14 2.37 2.32 1.31 1.30 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">72 90 23 96 21 39 90 72 88 78 58 63 92 48 89 84 50 55</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">-8.819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">495</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">5.09 4.60 3.37 3.29 2.61 2.61 2.42 2.37 2.24 2.23 2.22 2.04 1.97 1.96 1.94 1.68 1.62 1.54 1.51 1.51 1.50 1.50 1.50 1.43 1.42 1.34 1.32 1.27 1.25 1.09 1.07 1.05 1.03 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:x P:y P:y P:z P:z P:x P:x P:y P:x P:y P:z P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:z P:z P:x P:x P:x P:z P:x P:z P:z P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">23 85 59 83 57 82 79 24 56 93 81 95 51 87 94 39 76 74 91 96 83 59 75 86 23 91 75 39 96 85 94 24 87 79 72 55</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">-8.769</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.82 7.10 7.03 4.18 4.13 2.60 2.49 2.49 2.25 2.24 2.17 2.16 2.16 1.86 1.85 1.69 1.68 1.57 1.57 1.55 1.42 1.41 1.26 1.26 1.19 1.19 1.07 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:z P:y P:y P:x P:x P:x P:z P:z P:y P:y P:x P:x P:x P:z P:z P:x P:x P:x P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">30 62 29 36 98 22 25 60 98 36 54 37 43 98 36 52 46 28 29 62 32 65 27 61 69 44 40 70 47</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">-8.721</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">497</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.49 5.38 3.69 3.67 3.61 3.61 3.46 3.37 2.59 2.59 2.09 2.08 1.93 1.93 1.76 1.75 1.68 1.65 1.53 1.52 1.41 1.40 1.29 1.28 1.25 1.24 1.18 1.12 1.10 1.06 1.05 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:z P:z P:x P:z P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">28 26 49 71 66 33 37 30 68 42 44 69 60 25 32 65 44 69 22 22 54 43 61 27 97 35 38 49 71 41 45 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.706</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.74 5.73 2.93 2.92 2.87 2.56 2.56 2.54 2.52 2.48 2.47 2.42 2.41 2.40 2.38 2.21 2.19 2.10 2.07 2.06 2.05 1.65 1.37 1.34 1.34 1.33 1.31 1.30 1.24 1.21 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:y P:y P:y P:z P:y P:z P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y D:xy P:x P:x P:y P:y P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="31">46 52 66 22 33 60 29 25 62 42 68 64 31 32 65 98 36 35 97 34 67 101 33 66 43 54 31 64 62 29 40</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 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">-8.690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.98 3.96 3.55 3.53 2.76 2.57 2.57 2.57 2.56 2.54 2.53 2.29 2.26 2.25 2.23 1.91 1.77 1.76 1.76 1.75 1.65 1.64 1.63 1.58 1.39 1.33 1.30 1.29 1.18 1.14 1.13 1.13 1.13 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y D:z2 D:z2 P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z P:y P:z P:x P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">81 56 56 81 96 75 95 91 51 59 83 82 6 11 57 86 57 74 82 76 77 99 74 76 75 91 91 75 23 76 80 74 53 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O W W O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.611</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">500</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.04 4.93 3.48 3.40 3.32 3.29 3.27 3.26 2.86 2.85 2.79 2.78 2.67 2.64 2.62 2.57 2.30 2.30 2.30 2.02 2.00 1.61 1.58 1.32 1.29 1.19 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:y P:y P:z P:z P:y P:x P:x P:y P:z P:x P:x P:z P:y P:y P:x P:x P:z P:z D:xy P:z P:z P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="27">21 96 56 81 59 75 91 83 83 83 59 59 81 56 74 76 95 51 102 82 57 87 94 75 91 88 78</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">501</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.61 5.27 4.46 4.44 4.36 3.92 3.90 3.51 3.20 3.17 2.95 2.93 2.44 2.32 2.32 2.30 1.48 1.45 1.38 1.36 1.36 1.35 1.27 1.26 1.24 1.22 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 D:xz P:x P:y P:y P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x D:x2-y2 P:x P:x P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">21 96 59 102 83 77 99 86 89 84 59 83 21 56 81 85 91 75 99 102 73 77 80 53 59 83 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O Tc O O O O O O O O O O O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">502</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.82 10.80 4.14 4.11 2.92 2.89 2.63 2.60 2.40 2.40 2.30 2.29 2.13 2.10 2.09 2.07 1.92 1.91 1.35 1.33 1.14 1.12 1.10 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:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:x P:y P:x P:y P:y P:y P:x P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">47 70 65 32 49 71 35 97 25 60 43 54 69 34 44 67 44 69 32 65 71 49 60 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">-8.535</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.82 3.79 3.61 3.57 3.53 3.50 3.45 3.41 3.40 3.38 3.15 3.11 2.81 2.79 2.38 2.36 2.27 2.26 2.26 2.24 2.22 2.21 2.20 2.19 1.63 1.61 1.54 1.52 1.52 1.51 1.41 1.37 1.28 1.26 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y P:x P:y P:y P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">69 44 36 98 29 62 66 33 97 35 64 31 42 68 45 41 31 54 43 64 98 49 71 36 41 45 62 65 32 29 68 42 33 66 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.525</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">504</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.14 8.12 4.74 4.64 4.26 4.21 3.02 2.91 2.56 2.51 2.05 2.01 2.00 1.99 1.93 1.91 1.85 1.82 1.81 1.80 1.69 1.69 1.67 1.58 1.49 1.40 1.29 1.27 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:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:z P:x P:z P:x P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">76 74 95 51 81 56 57 82 76 74 95 83 51 59 99 77 83 88 78 59 91 75 57 82 24 79 48 92 55</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">-8.502</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.14 8.13 7.69 4.25 3.63 3.43 3.42 3.00 2.98 2.70 2.69 1.92 1.90 1.49 1.48 1.40 1.39 1.35 1.32 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">47 70 26 37 30 67 34 33 66 31 64 33 66 65 32 27 61 38 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">506</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.10 4.59 3.94 3.91 3.89 3.78 3.73 3.72 3.32 2.50 2.49 2.44 2.44 1.77 1.74 1.64 1.46 1.40 1.39 1.24 1.09 1.05 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:y P:x P:x P:y P:y P:z P:x P:y P:y P:x P:z P:z P:x P:x P:y P:y D:xz P:z P:x D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">85 73 79 24 79 24 53 80 93 82 94 87 57 80 53 85 21 81 56 102 86 92 102 48 86</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">-8.446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">507</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.03 4.06 3.80 3.76 2.09 2.09 2.06 2.06 1.85 1.83 1.75 1.64 1.62 1.62 1.61 1.44 1.43 1.40 1.38 1.08 1.07 1.06 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:x P:z P:x P:x P:x D:z2 P:x P:y P:y P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="24">30 26 71 49 44 69 31 64 77 99 28 40 87 94 30 102 22 34 67 24 79 49 37 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O 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">-8.439</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">508</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.09 3.86 3.84 3.43 3.40 2.96 2.79 2.62 2.62 2.56 2.54 2.30 2.04 2.04 1.26 1.25 1.25 1.24 1.12 1.10 1.09 1.08 1.04 1.02 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:z2 P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x D:z2 P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">102 94 87 77 99 30 26 24 79 53 80 103 71 49 57 90 72 82 83 31 59 64 96 24 86 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc 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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.80 3.72 3.09 3.05 3.04 2.93 2.87 2.83 2.76 2.67 2.24 2.24 2.23 2.20 2.19 2.14 1.95 1.88 1.58 1.49 1.47 1.46 1.46 1.45 1.13 1.10 1.09 1.08 1.07 1.04 1.03 1.00 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:z P:x P:z P:x P:z P:x P:x P:y P:y D:z2 P:x P:x P:z P:x P:x P:z P:y P:y P:x P:x P:x P:z P:z P:x P:z P:z D:x2-y2 P:y P:y P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">86 85 82 93 57 82 57 77 99 103 99 51 74 77 95 76 79 24 56 81 50 51 95 55 99 77 103 87 94 81 56 86 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">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 Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">17.14 3.91 3.90 2.92 2.91 2.72 2.68 2.65 2.64 2.30 1.61 1.59 1.59 1.58 1.54 1.52 1.35 1.30 1.21 1.19 1.18 1.17 1.17 1.17 1.16 1.16 1.14 1.10 1.10 1.09 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:y P:y P:x P:x P:y P:y P:y P:y P:z P:x P:z P:x P:z P:z P:z P:x P:x P:z P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">28 31 64 70 47 29 62 69 44 40 62 60 29 25 64 31 22 30 38 71 49 70 47 65 44 32 69 68 42 26 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.40 6.40 5.98 4.92 4.89 4.20 4.15 4.12 2.99 2.97 2.68 2.66 2.66 2.65 2.51 2.51 2.45 2.44 1.99 1.98 1.65 1.64 1.47 1.47 1.21 1.20 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:y P:y P:y P:y P:x P:x P:y P:y P:z P:z P:x P:x P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">46 52 40 29 62 38 66 33 36 98 34 67 71 49 45 41 64 31 97 35 68 42 71 49 43 54 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">7.26 7.22 7.22 7.17 6.51 6.49 4.42 4.33 4.28 2.89 2.89 2.15 2.15 2.10 2.09 1.25 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:y P:y P:z P:y P:y P:y P:y P:x P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">70 47 32 65 69 44 28 34 67 71 49 69 44 69 44 26 37</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">-8.355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">513</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.71 4.70 4.11 4.11 3.52 3.50 3.46 3.38 2.78 2.70 2.39 2.34 1.99 1.88 1.87 1.84 1.74 1.72 1.69 1.69 1.68 1.57 1.52 1.43 1.42 1.39 1.38 1.37 1.35 1.28 1.26 1.21 1.19 1.18 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:y P:y P:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:y P:y P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">82 57 72 90 59 83 91 75 77 99 79 24 23 39 78 88 92 79 48 21 24 95 51 81 80 56 96 53 76 74 87 99 94 77 55 50</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">-8.329</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">14.91 14.88 9.39 9.32 6.86 6.86 2.68 2.66 2.03 2.00 1.88 1.88 1.52 1.51 1.50 1.48 1.20 1.17 1.17 1.16 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:x P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">47 70 34 67 32 65 71 49 67 34 69 44 65 32 49 71 67 66 33 34 29 62</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">-8.322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.54 5.31 4.86 3.84 3.60 3.56 3.42 3.42 2.29 2.09 1.77 1.77 1.74 1.70 1.59 1.51 1.49 1.48 1.41 1.30 1.23 1.16 1.16 1.08 1.07 1.06 1.05 1.05 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:z P:x P:z P:y P:x P:x P:y P:y P:y P:z P:x P:x P:y P:y P:y P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">85 73 93 93 83 59 74 76 23 21 56 24 81 79 51 72 90 95 24 79 86 58 63 91 74 75 76 50 90 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.47 4.81 4.04 2.84 2.48 2.33 2.33 2.07 2.05 1.79 1.79 1.77 1.76 1.75 1.72 1.69 1.69 1.62 1.33 1.32 1.18 1.17 1.13 1.10 1.09 1.07 1.01 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:z P:z P:x P:x P:x P:z P:z P:x P:x P:x P:z P:z P:x P:y P:y P:y P:y D:z2 P:z P:z P:x P:x P:y P:y P:y P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">73 93 86 85 21 81 56 78 88 81 82 57 56 79 91 24 75 102 58 63 72 90 50 55 74 76 58 53 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O Tc O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.281</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.77 7.27 6.29 6.11 4.37 4.24 4.06 3.84 3.80 2.86 2.78 2.21 1.96 1.96 1.73 1.72 1.49 1.47 1.46 1.44 1.43 1.42 1.40 1.38 1.09 1.08 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">P:x P:z P:z P:z P:x P:x P:z P:y P:y P:x P:x P:x P:z P:z P:x P:x P:y P:y P:y P:y P:z P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">30 30 60 25 69 44 37 31 64 71 49 37 64 31 32 65 65 68 42 60 69 32 25 44 38 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.267</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.23 7.14 6.51 6.44 6.41 6.40 4.16 4.10 3.85 3.81 3.63 3.61 3.01 1.85 1.84 1.73 1.71 1.51 1.47 1.43 1.40 1.25 1.25 1.18 1.18</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:z P:y P:z P:x P:x P:z P:z P:z P:z P:y P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">44 69 25 25 60 60 49 71 70 47 44 69 22 27 61 32 65 66 33 36 98 71 49 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.253</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.05 5.17 4.84 4.75 4.56 4.49 3.23 3.18 3.02 2.99 2.87 2.82 1.96 1.79 1.77 1.50 1.47 1.41 1.40 1.25 1.25 1.23 1.20 1.20 1.16 1.16</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:y P:z P:z P:z P:z P:z P:z P:x P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 37 34 67 25 60 47 70 49 71 67 34 30 71 49 68 42 49 71 70 47 68 42 44 69 26</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">-8.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">7.45 6.26 6.21 4.75 4.74 3.32 3.10 3.09 3.03 2.96 2.49 2.48 1.70 1.66 1.66 1.50 1.46 1.38 1.35 1.33 1.33 1.32 1.32 1.25 1.23 1.16 1.16 1.11 1.11 1.09 1.09 1.07</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:x P:x P:z P:x P:x P:y P:y P:x P:x P:z P:z P:z P:y P:y P:y P:x P:x P:x P:y P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">26 27 61 33 66 30 68 42 64 31 67 34 28 66 33 44 69 60 54 47 70 25 43 62 29 34 67 68 42 37 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">521</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.39 8.32 5.02 5.01 4.65 4.33 4.31 4.27 4.22 3.86 3.64 3.62 3.08 3.03 1.96 1.65 1.65 1.50 1.48 1.47 1.45 1.07 1.06 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:z P:z P:z P:z P:y P:z P:z P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">27 61 52 46 22 60 25 61 27 38 31 64 25 60 40 98 36 31 64 46 52 65 32 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">522</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">11.44 11.41 5.27 5.06 5.03 2.62 2.62 2.51 2.50 2.39 2.39 2.18 2.12 1.88 1.87 1.34 1.34 1.32 1.29 1.28 1.18 1.17 1.16 1.15 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:z P:y P:x P:y P:z P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">61 27 28 62 29 64 31 62 29 31 64 28 30 65 32 25 42 30 68 60 65 32 97 35 42 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">-8.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">28.38 8.92 8.81 7.60 7.49 2.64 2.61 2.00 1.97 1.86 1.85 1.47 1.45</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:y P:x P:x P:x P:x P:z P:z P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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">22 43 54 68 42 68 42 45 41 27 61 36 98</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">-8.165</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.81 5.72 4.27 4.20 3.72 3.58 3.42 3.25 3.01 2.87 2.76 2.73 2.67 2.66 2.65 2.63 2.50 2.48 2.03 2.02 1.28 1.25 1.24 1.23 1.21 1.20 1.15 1.10 1.08 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:y P:y P:x P:x P:y P:y P:z P:z P:y P:y P:y P:x P:x P:x P:y P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">24 79 55 50 92 48 63 58 94 87 77 58 79 63 99 24 57 82 59 83 92 82 48 57 88 78 95 51 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.68 8.41 5.70 5.58 4.21 4.21 3.54 3.51 2.79 2.79 2.40 2.28 2.06 2.05 1.84 1.72 1.66 1.63 1.56 1.51 1.51 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:z P:z P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">63 58 53 80 99 77 89 84 88 78 89 84 59 83 94 87 99 77 96 81 56 63 58</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">-8.155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">526</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">22.29 9.51 9.45 4.75 4.72 2.07 2.07 2.01 1.75 1.43 1.41 1.24 1.21 1.11 1.10 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:y P:z P:z P:z P:z P:x P:z P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">37 42 68 68 42 47 70 37 26 25 60 66 33 33 66 97 35</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">-8.127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.64 6.60 5.65 5.61 5.30 5.27 4.44 3.60 3.54 2.92 2.88 2.76 2.74 2.15 2.13 2.02 1.98 1.98 1.93 1.51 1.47 1.47 1.47 1.25 1.24 1.24 1.22 1.12 1.11 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">98 36 60 25 45 41 22 25 60 61 27 27 61 54 43 41 36 45 98 42 68 35 97 67 34 29 62 32 65 28 26</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">-8.111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.85 7.57 7.16 4.02 3.94 3.72 3.57 3.14 3.00 2.90 2.51 2.37 2.29 2.17 2.03 1.72 1.63 1.41 1.40 1.22 1.22 1.11 1.11 1.11 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z P:z P:y P:y P:z P:x P:x P:z P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">93 58 63 87 94 87 94 86 48 92 85 48 92 80 53 80 53 76 74 99 77 78 88 84 86 89 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.024</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.41 9.24 9.10 6.46 4.72 4.32 3.66 3.50 2.25 2.23 2.15 2.15 1.98 1.86 1.85 1.56 1.56 1.55 1.55 1.20 1.18 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:y P:y P:z P:z P:x P:z P:z P:y P:y P:z P:z P:z P:x P:x P:z P:y P:z P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">93 48 92 85 73 93 92 48 50 55 58 63 39 63 58 80 24 53 79 75 91 53 80</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">-8.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">530</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">10.87 5.12 4.41 4.26 3.42 3.15 3.13 3.01 2.70 2.59 2.52 1.93 1.76 1.69 1.48 1.46 1.41 1.40 1.39 1.36 1.32 1.31 1.20 1.20 1.11 1.11 1.11 1.10 1.07 1.06 1.04 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:z P:y P:y P:x P:y P:x P:y P:x P:z P:x P:z P:y P:y P:x P:x P:x P:z P:z P:x P:z P:z P:x P:x P:z P:y P:x P:x P:x P:z P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">85 86 88 78 63 50 58 55 89 96 84 23 53 80 21 23 99 55 88 77 50 78 96 92 59 99 48 59 85 83 24 57 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.37 6.19 4.08 3.99 3.95 3.77 3.70 3.62 3.58 3.43 2.83 2.77 2.70 2.63 2.61 2.59 2.55 2.54 2.48 2.47 2.46 2.32 1.91 1.73 1.55 1.41 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:x P:x P:x P:x P:x P:y P:x P:y P:x P:x P:x P:x P:y P:x P:z P:z P:x P:y P:y P:x P:y P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">72 90 83 59 58 63 79 82 24 57 55 50 56 23 81 48 92 51 77 96 95 99 84 89 78 88 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.32 7.73 7.26 5.97 5.96 4.48 4.24 3.61 3.57 3.53 2.96 2.82 2.35 2.11 1.72 1.33 1.28 1.26 1.25 1.23 1.18 1.16 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:x P:y P:y P:y P:x P:y P:z P:y P:x P:z P:x P:y P:x P:y P:z P:z P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">53 94 39 63 80 23 87 58 89 55 21 82 50 57 55 95 84 53 89 50 94 51 94 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.926</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.01 7.83 7.76 6.40 5.81 5.78 4.86 4.78 4.58 3.56 3.18 2.91 2.62 2.13 2.06 1.86 1.36 1.13 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:y P:y P:z P:y P:y P:y P:x P:y P:y P:z P:y P:z P:x P:z P:z 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">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">84 87 73 80 50 89 58 94 55 84 53 89 63 50 85 55 93 50 92 79 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.915</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">534</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.27 5.23 3.87 3.86 2.65 2.64 2.51 2.50 2.46 2.44 2.32 2.31 2.31 2.31 2.27 2.23 2.14 2.14 2.14 2.10 1.74 1.74 1.70 1.68 1.61 1.60 1.59 1.57 1.56 1.55 1.28 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:z 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:x P:x P:z P:z P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">43 54 35 97 70 47 98 36 62 29 33 33 66 66 54 43 32 65 97 35 45 41 66 33 65 34 67 32 61 27 29 62</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">-7.907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">17.75 6.64 6.34 5.27 5.03 3.00 2.79 2.69 2.64 2.63 2.46 2.25 2.19 1.96 1.81 1.74 1.62 1.61 1.38 1.32 1.25 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">P:y P:x P:x P:y P:y P:x P:x P:x P:y P:x P:x P:x P:y P:y P:y P:z P:y P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">39 51 95 87 94 58 63 48 96 92 50 55 80 53 50 51 55 95 82 84 57 89</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">-7.879</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">32.10 8.46 8.35 4.93 4.75 3.40 3.16 3.14 2.17 2.13 1.90 1.54 1.45 1.34 1.33 1.13 1.13 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">P:y P:x P:x P:x P:x P:y P:x P:x P:x P:x P:y P:y P:y P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">21 56 81 88 78 39 59 83 89 84 96 81 56 88 78 81 56 51 95</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">-7.855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">12.51 4.94 4.27 3.65 2.62 2.54 2.44 1.77 1.75 1.48 1.48 1.48 1.32 1.31 1.30 1.25 1.24 1.14 1.14 1.14 1.13 1.12 1.07 1.04 1.01 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x P:z P:z P:y P:y P:x P:z P:z P:x P:x P:z P:z P:z P:x P:x P:y P:x P:z P:z P:y P:z P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">76 74 78 39 86 78 88 92 63 94 85 86 33 66 24 65 32 92 88 62 29 48 93 87 67 89 34 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">538</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">14.31 7.72 7.16 6.82 6.01 4.04 3.02 3.00 2.76 2.58 2.49 2.18 2.17 1.97 1.92 1.91 1.73 1.59 1.58 1.56 1.48 1.40 1.33 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:z P:x P:z P:x P:x P:x P:y P:z P:y P:z P:z P:z P:z P:z P:x P:y P:y P:x P:y P:x P:y P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">74 48 76 88 92 78 74 88 76 78 90 48 92 72 95 83 96 84 59 56 39 51 58 89 81</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">-7.844</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">539</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">10.01 4.14 3.84 3.82 3.25 2.44 2.43 2.32 2.32 2.08 2.08 2.07 2.00 1.88 1.88 1.79 1.79 1.56 1.55 1.54 1.54 1.50 1.49 1.48 1.48 1.33 1.24 1.23 1.14 1.09 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:y P:y P:z P:z P:z P:x P:x P:z P:x P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">86 86 88 78 73 33 66 32 65 62 85 29 30 66 33 67 34 37 93 29 62 91 32 65 75 74 67 34 26 76 93 78</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">-7.839</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">540</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">7.05 6.00 3.28 2.73 2.65 2.47 2.29 2.08 1.97 1.97 1.97 1.96 1.93 1.93 1.56 1.56 1.55 1.54 1.54 1.53 1.44 1.38 1.37 1.31 1.27 1.27 1.25 1.22 1.22 1.13 1.12 1.11 1.01 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:x P:z P:z P:z P:z 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:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:y P:y P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">86 73 93 88 78 74 76 88 84 86 73 89 78 93 33 96 66 32 65 30 21 62 29 56 67 34 81 33 66 23 48 92 78 32 88 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">541</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">8.13 3.87 3.08 2.94 2.73 2.62 2.60 2.50 2.50 2.31 2.18 2.18 2.15 1.97 1.96 1.86 1.81 1.80 1.78 1.73 1.67 1.53 1.52 1.49 1.45 1.44 1.37 1.34 1.34 1.27 1.26 1.25 1.24 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z P:x P:z P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:y P:z P:y P:x P:x P:y P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">86 85 39 73 93 77 99 89 84 85 78 93 88 78 88 95 51 76 74 57 82 57 82 92 91 48 75 56 81 76 77 99 74 59 83</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">-7.766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.88 5.67 5.27 3.86 3.83 3.77 3.62 3.46 3.15 3.14 2.85 2.75 2.72 2.67 2.66 2.23 2.09 1.80 1.67 1.12 1.10 1.05 1.05 1.02 1.01 1.01 1.00 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:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:x P:x P:x P:y P:y P:x P:z P:y P:x P:x P:z P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">91 86 75 94 87 85 55 50 77 99 95 51 93 24 79 93 91 75 73 39 94 58 63 99 87 73 77 55</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">-7.759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">14.35 12.96 5.18 5.16 2.84 2.81 2.53 2.52 2.15 2.14 2.00 1.99 1.93 1.89 1.85 1.85 1.79 1.75 1.49 1.40 1.30 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 P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">37 26 60 25 27 61 41 45 97 35 54 43 35 97 98 36 45 41 37 28 30 61 27</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">-7.741</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">544</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">22.15 7.57 4.74 4.41 4.24 3.58 3.11 2.85 2.51 2.47 2.34 2.24 1.93 1.71 1.71 1.51 1.41 1.30 1.13 1.08 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:z P:z P:y P:x P:z P:x P:y P:x P:y P:z P:x P:x P:z P:x P:y P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">91 89 76 89 91 55 55 93 53 53 94 73 73 79 63 24 75 24 95 80 81 85</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">-7.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">25.34 8.32 7.60 5.23 4.54 4.32 3.75 3.31 2.68 2.51 2.44 1.81 1.56 1.52 1.26 1.23 1.19 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:y P:z P:z P:z P:y P:y P:z P:z P:x P:x P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">75 84 75 50 91 84 74 50 80 87 91 58 55 80 90 93 23 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">546</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">7.19 7.18 6.59 6.44 6.18 6.07 5.42 5.36 5.33 5.16 5.05 5.05 5.02 4.88 3.06 2.92 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">P:x P:x P:y P:y P:x P:x P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">67 34 41 45 32 65 36 62 29 98 97 66 33 35 54 43 67</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">-7.731</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">547</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">21.44 11.50 5.83 5.82 5.65 5.61 2.51 2.43 2.25 2.18 1.87 1.84 1.73 1.71 1.60 1.53 1.51 1.19 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:y P:y P:y P:y P:z P:z P:z P:z P:y P:z P:z P:z P:y P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">28 30 61 27 25 60 98 36 45 41 98 30 35 97 36 43 54 43 37 54</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">-7.669</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">548</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.58 11.57 5.22 5.22 4.77 4.71 4.08 4.06 3.80 3.80 3.23 3.22 2.89 2.86 2.65 2.65 2.14 2.08 1.53 1.33 1.20 1.19 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">27 61 60 25 61 27 66 33 62 29 65 32 25 60 34 67 37 30 26 28 35 97 32 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">549</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">24.46 3.96 3.71 2.93 2.82 2.64 2.33 2.31 2.21 2.20 2.19 2.16 1.96 1.41 1.40 1.38 1.35 1.34 1.32 1.31 1.30 1.29 1.28 1.25 1.24</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:x P:x P:x P:z P:x P:z P:x P:x P:x P:z P:x P:z P:x P:x P:z P:y P:z P:y P:y P:y P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">39 95 51 92 48 73 57 95 55 82 50 51 86 86 80 53 92 78 48 89 88 84 99 103 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 Tc O</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">550</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.49 9.18 6.68 6.44 5.98 5.94 4.34 4.08 3.89 3.89 2.34 2.33 2.07 1.92 1.83 1.80 1.77 1.55 1.51 1.47 1.42 1.38 1.27 1.21 1.20 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">74 76 75 91 82 57 83 59 51 95 76 74 56 81 75 91 93 86 24 79 82 57 99 83 77 59</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">-7.504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">551</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">4.54 4.48 3.73 3.70 3.28 3.26 2.99 2.99 2.41 2.41 2.29 2.23 2.21 2.20 2.18 2.16 2.02 2.00 1.98 1.97 1.95 1.94 1.84 1.83 1.69 1.67 1.65 1.65 1.34 1.32 1.27 1.27 1.15 1.11 1.09 1.08 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:z P:z P:y P:x P:x P:z P:z P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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">56 81 59 83 51 95 82 57 83 59 82 57 81 87 94 56 95 51 79 58 63 24 87 94 24 79 99 77 99 77 53 80 77 99 53 80 76 74</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">-7.463</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">552</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.41 5.39 5.09 5.05 4.31 4.31 3.55 3.54 3.49 3.48 3.47 3.43 3.06 3.06 2.94 2.92 2.42 2.42 2.32 2.31 2.07 2.05 1.71 1.70 1.57 1.56 1.56 1.54 1.24 1.23 1.23 1.23 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:y P:z P:z P:y P:z P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">29 62 29 62 97 35 66 33 34 67 43 54 67 34 33 66 32 65 41 45 97 35 36 98 45 32 65 41 54 36 98 43 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.381</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">553</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.82 13.81 13.00 7.19 6.85 3.63 3.63 3.52 1.64 1.40 1.39 1.35 1.34 1.19 1.15 1.15 1.10 1.09 1.05 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:y P:y P:x P:x P:x P:y P:y P:x P:z P:x P:x P:z P:z P:z P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">27 61 37 30 28 25 60 26 37 29 62 29 62 30 34 67 25 60 34 67</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">-7.312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">554</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.44 5.77 5.31 5.24 4.58 4.54 4.31 3.32 3.30 3.08 3.06 3.05 3.03 2.67 2.64 2.62 2.59 2.13 2.12 2.12 2.11 1.85 1.84 1.73 1.66 1.55 1.53 1.27 1.26 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:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">85 39 53 80 94 87 93 79 24 99 87 94 77 53 80 57 82 91 77 99 75 79 24 73 86 95 51 74 76 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">555</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">8.19 8.09 6.86 6.82 6.79 6.68 5.75 5.60 4.81 4.68 3.83 3.83 3.68 3.63 2.25 2.19 1.43 1.39</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:y P:x P:y P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">79 24 77 81 99 56 59 83 95 51 80 53 94 87 57 82 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">556</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.07 5.77 4.94 4.93 4.83 4.77 4.73 4.46 4.11 4.02 3.70 3.69 2.57 2.48 2.35 2.23 2.15 2.06 2.02 1.79 1.77 1.64 1.47 1.39 1.39 1.28 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">85 86 59 83 57 82 73 93 51 95 56 81 73 86 56 83 81 59 51 95 82 57 39 85 93 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.188</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">557</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">16.16 14.92 13.21 11.60 10.28 7.41 6.54 5.56</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">P:y P:y P:x P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">76 74 86 73 93 91 75 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.180</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">558</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.24 8.31 8.19 6.89 5.37 5.31 5.07 5.03 4.00 3.86 2.98 2.97 2.68 2.64 2.08 2.06 1.85 1.76 1.75 1.69 1.69 1.64 1.54 1.46 1.43 1.36 1.35 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:z P:z P:y P:z P:y P:z P:z P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">75 91 74 76 77 99 80 53 75 91 76 74 80 53 85 73 24 79 82 94 57 87 82 57 86 99 77 93</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">-6.992</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">559</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.83 6.80 5.07 5.05 4.93 4.92 4.77 4.74 4.41 4.36 3.42 3.39 2.49 2.47 2.12 2.07 2.07 2.05 1.43 1.42 1.31 1.28 1.27 1.26 1.22 1.22 1.11 1.10 1.09 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">P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:x P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">87 94 87 94 24 79 83 59 80 53 59 83 24 79 82 57 56 81 57 82 81 56 77 99 51 95 77 80 99 53 57 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">-6.843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">560</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">17.24 9.02 8.93 7.41 7.10 6.31 6.30 2.85 2.17 2.14 1.77 1.74 1.41 1.39 1.39 1.33 1.33 1.16 1.15 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:y P:y P:x P:x P:y P:y P:x P:z P:z P:x P:x P:z P:z P:z P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">73 75 91 85 86 76 74 93 91 75 87 94 87 86 94 79 24 24 79 83 59</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">-6.584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">561</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">52.21 5.93 5.84 5.15 5.10 2.56 2.55 2.04 2.01 1.32 1.31 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:xy P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 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="12">101 97 35 41 45 97 35 64 31 49 71 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc 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">-6.511</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">562</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">40.73 6.06 6.01 5.73 4.87 4.83 4.78 1.79 1.76 1.72 1.71 1.69 1.69 1.51 1.49 1.26 1.17 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 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz P:x P:x D:x2-y2 P:x D:z2 P:x P:z P:z P:x P:z P:x P:z P:x P:x D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 35 97 101 45 101 41 35 97 31 45 64 41 71 49 101 41 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc O O Tc O Tc 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">-6.370</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">563</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">43.90 10.63 6.56 4.86 3.67 3.17 2.23 2.21 1.79 1.72 1.72 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:x2-y2 D:xz P:x S D:z2 P:z P:z P:z P:x P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -5.732 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 1.33 2.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">101 101 38 101 101 38 35 97 39 41 45 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc O Tc Tc O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.028</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">564</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">53.28 5.21 3.78 3.76 3.10 2.85 2.53 2.51 1.83 1.83 1.53 1.47 1.47</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">D:xz D:z2 P:x P:x P:z D:xz P:x P:x P:z P:z D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">100 100 43 54 22 100 36 98 43 54 100 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc O O O Tc O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.946</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">565</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">39.43 5.55 5.52 5.25 5.00 4.96 2.83 2.80 2.80 2.80 2.42 2.40 1.86 1.64 1.62 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:z2 P:y P:y D:x2-y2 P:y P:y P:z P:x P:z P:x P:z P:z D:z2 D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.546 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">101 35 97 101 45 41 41 26 45 30 97 35 101 101 30 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc O O Tc O O O O 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">-5.764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">566</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">51.24 5.57 4.36 4.34 3.58 3.53 2.43 2.24 1.70 1.67 1.66 1.37 1.37 1.12 1.11 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xz D:z2 P:x P:x P:x P:x D:xz D:x2-y2 P:z P:z P:z P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 4.546 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.33 1.33 1.33 1.33 0.00 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="17">102 102 56 81 59 83 102 102 21 56 81 78 88 83 59 89 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc O O O O Tc 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">-5.724</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">567</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">57.69 17.11 2.31 2.02 2.01 1.91 1.90 1.39 1.39 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">D:xy P:y D:xy P:x P:x P:x P:x P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-6.750 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.00 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">100 22 100 36 98 43 54 43 54 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Tc O Tc O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.463</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">568</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">57.10 15.50 2.55 2.54 2.52 2.33 2.30 1.41 1.40 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">D:xy P:y D:xy P:x P:x P:x P:x P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-6.750 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.00 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">102 21 102 59 83 56 81 56 81 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Tc O Tc O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">569</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">39.43 17.72 2.89 2.88 2.87 2.54 2.52 2.49 2.48 2.25 1.77 1.25 1.24 1.15 1.04 1.04</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:x2-y2 P:x P:y P:y P:z P:z P:y P:y P:x D:xz P:z P:z P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">100 100 28 43 54 36 98 98 36 37 100 54 43 37 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc O O O O O O O O Tc O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">570</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">54.56 24.64 2.01 1.58 1.48 1.44 1.36 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">D:xy P:y D:xy P:z P:z P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-6.750 -10.027 4.546 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.00 1.33 0.00 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">103 39 103 51 95 82 57 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Tc O Tc O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">571</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">29.64 14.00 10.45 3.77 2.51 2.51 2.50 2.49 2.48 2.47 2.21 1.37 1.25 1.09 1.07</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:z2 D:x2-y2 P:y P:y P:y P:z P:y P:z P:x P:x D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 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="15">102 102 103 103 56 83 59 59 81 83 73 86 102 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc 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">-4.716</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">572</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">33.46 11.69 8.14 3.92 2.41 2.38 2.34 2.31 2.18 2.00 1.72 1.70 1.19 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:z2 D:x2-y2 D:z2 D:x2-y2 P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 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="14">103 103 102 102 51 95 82 57 85 93 57 82 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc 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">-2.520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">573</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.00 9.90 6.27 6.26 3.74 3.73 2.74 2.72 2.46 2.43 2.31 2.29 2.29 2.28 1.71 1.71 1.45 1.45 1.34 1.33 1.16 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">D:xy D:xy D:xy D:xy D:xz D:xz P:y P:y D:xz D:xz D:xy D:z2 D:xy D:z2 P:y P:y D:z2 D:z2 D:xy D:xy P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">18 5 2 15 5 18 45 41 2 15 3 5 16 18 98 36 2 15 17 4 41 45 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W O O W W W W W W O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">574</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">52.02 22.70 4.46 1.99 1.60</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">D:xz P:z D:z2 D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-6.750 -10.027 -6.750 -6.750 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">1.00 1.33 1.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">103 39 103 103 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Tc O Tc Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.160</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">575</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">12.00 11.97 5.08 5.05 4.28 4.27 3.27 3.24 2.13 2.13 1.91 1.90 1.74 1.72 1.59 1.59 1.39 1.39 1.25 1.24 1.16 1.16 1.15 1.15 1.14 1.13 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:y P:y D:xz D:xz P:y P:y P:y P:y P:y P:y D:z2 D:z2 P:x D:yz P:x P:x P:x D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">14 1 14 1 15 2 3 16 61 27 2 15 60 25 98 36 35 97 16 3 66 3 33 67 34 16 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W O O W W O O O O O O W 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">-2.090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">576</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.95 6.87 6.61 6.57 3.85 3.83 2.49 2.48 2.37 2.34 2.32 2.31 2.29 2.28 1.68 1.68 1.67 1.65 1.58 1.58 1.46 1.45 1.29 1.29 1.23 1.22 1.22 1.21 1.19 1.05 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">D:xy D:xy D:xy D:xy D:xy D:xy P:y P:y D:yz D:z2 D:yz D:z2 D:yz D:yz P:z P:z D:z2 D:z2 P:x P:x P:y P:y D:xz D:xz D:xz P:z D:yz P:z D:xz P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -6.750 -10.027 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.00 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">3 16 17 4 18 5 43 54 3 17 16 4 4 17 62 29 16 3 62 29 35 97 5 18 16 97 101 35 3 41 45 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W O O W W W W W W O O W W O O O O W W W O Tc O W O 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">577</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.73 16.64 7.51 7.50 1.53 1.52 1.52 1.51 1.36 1.20 1.20 1.00</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:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:x P:x D:x2-y2 P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">1 14 1 14 18 5 32 65 100 66 33 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">W W W W W W O O Tc O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.779</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">578</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.86 8.76 5.27 5.23 3.01 2.98 2.77 2.77 2.73 2.72 2.58 2.50 2.28 2.24 1.96 1.94 1.94 1.93 1.51 1.48 1.38 1.31 1.12 1.11 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">D:xy D:xy D:xy D:xy P:y P:y D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:xz D:xz P:y D:xy P:y D:xy D:z2 D:z2 D:xz D:xz D:x2-y2 D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">9 19 12 7 51 95 19 6 11 9 9 19 7 12 82 13 57 8 7 12 19 9 6 11 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W W W W W W W W O W O W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.744</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">579</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.15 9.14 7.87 7.83 5.08 5.06 4.22 4.19 3.40 3.40 2.13 2.11 1.90 1.87 1.80 1.77 1.58 1.57 1.34 1.32</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:z2 D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y P:x P:x P:z P:z D:yz D:yz D:xy D:xy P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">5 18 1 14 5 18 71 49 70 47 49 71 1 14 4 17 42 68 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W O O O O O O W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.709</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">580</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.06 7.05 6.45 6.44 3.63 3.60 3.38 3.38 3.18 3.17 3.00 2.97 2.63 2.63 2.30 2.27 2.00 1.98 1.92 1.90 1.58 1.56 1.31 1.31 1.28 1.28 1.15 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:y P:y D:xy D:xy P:y P:y D:xy D:xy D:z2 D:z2 D:yz D:yz P:z P:z D:xz D:xz P:x P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 14 15 2 15 2 47 70 69 44 14 1 31 64 16 3 16 3 3 16 44 69 15 2 70 47 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O O O O W W O O W W W W W W O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">581</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.13 3.81 3.77 3.22 3.22 3.20 2.84 2.83 2.81 2.78 2.68 2.68 2.65 2.63 2.53 2.52 1.99 1.97 1.77 1.76 1.75 1.72 1.07 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">P:x D:xy D:xy D:xz D:xz P:x D:xy D:xy D:xz D:xz D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:xy D:xy D:yz P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">26 18 5 18 5 28 15 2 2 15 16 3 5 18 2 15 5 18 15 4 17 2 30 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O W W W W O W W W W W W W W W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">582</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.09 10.47 6.26 6.21 4.95 4.73 2.68 2.68 2.66 2.61 2.44 2.36 1.71 1.66 1.66 1.60 1.54 1.50 1.19 1.16 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 P:y D:z2 D:z2 P:y D:yz D:yz P:x P:z P:x P:z D:xy D:xy P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 11 8 13 6 11 56 13 8 81 8 13 24 24 79 79 10 20 91 75 74 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W O W W O W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">583</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.17 10.15 4.10 4.09 3.44 3.41 2.93 2.77 2.56 2.48 2.46 2.29 1.92 1.84 1.59 1.54 1.52 1.50 1.39 1.27 1.26 1.25 1.20 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy P:x P:x D:xy D:xy D:xy D:xy D:xz D:xz D:xz D:xz D:xz D:xz D:x2-y2 P:x D:xz D:x2-y2 D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 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">1 14 70 47 3 16 17 4 18 5 2 15 3 16 5 30 17 18 4 16 15 3 2 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O W W W W W W W W W W W O W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">584</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.01 5.83 5.77 4.06 4.03 4.00 2.52 2.33 2.18 2.18 2.05 1.99 1.84 1.83 1.79 1.76 1.76 1.71 1.63 1.51 1.17 1.16 1.09 1.09 1.05 1.04 1.04 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:xy D:xy D:xy D:xy D:yz D:xy D:xy P:y P:y D:z2 D:z2 D:yz D:xz D:yz P:y P:y D:xz D:xz D:xz D:yz D:yz D:x2-y2 D:yz D:yz P:z D:x2-y2 P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">101 15 2 5 18 100 4 17 60 25 4 17 4 15 17 61 27 2 4 17 18 5 17 15 2 98 4 36 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc W W W W Tc W W O O W W W W W O O W W W W W W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">585</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">17.60 16.94 7.72 7.37 1.74 1.40 1.37 1.27 1.25 1.22 1.11 1.08 1.07 1.05 1.04 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">D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x D:x2-y2 D:xy D:xy P:x P:x D:xy D:xy P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.00 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="16">11 6 11 6 103 80 53 102 7 12 77 99 19 9 87 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W W W Tc O O Tc 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">-1.365</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">586</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">9.48 9.27 5.05 5.00 3.96 3.83 3.52 3.52 2.03 1.96 1.93 1.93 1.63 1.61 1.59 1.57 1.44 1.41 1.39 1.31 1.30 1.30 1.29 1.27 1.25 1.24 1.19 1.19 1.16 1.15 1.10 1.07 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz D:xz D:xz P:z P:z P:x P:z P:x P:z P:y D:z2 P:y D:z2 D:yz P:y D:z2 D:z2 P:y D:yz P:y P:y D:z2 D:z2 D:yz D:yz D:yz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">12 7 10 20 9 19 12 7 10 20 57 82 94 94 87 87 82 6 57 10 9 51 20 11 95 19 59 83 19 9 103 7 12 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W W W O O O O O O O W O W W O W W O W O O W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.327</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">587</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.85 4.75 3.18 3.14 2.95 2.94 2.87 2.84 2.68 2.65 2.52 2.45 2.41 2.38 2.31 2.28 2.19 2.16 2.11 2.10 2.04 1.98 1.52 1.48 1.25 1.22 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:z2 D:z2 D:yz D:yz D:xy D:yz D:yz D:xy P:y P:y D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:y P:y D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y D:x2-y2 D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">15 2 4 17 4 3 16 17 42 68 17 4 18 5 16 3 31 64 16 3 15 2 69 44 18 5 44 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W O O W W W W W W O O W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">588</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">15.97 15.87 6.54 6.53 2.43 2.35 1.81 1.81 1.73 1.69 1.61 1.55 1.30 1.29 1.11 1.09 1.06 1.04 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 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz P:z P:z D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:yz D:yz P:y P:z P:y D:x2-y2 D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">1 14 70 47 14 1 4 17 5 18 2 15 1 14 44 28 69 2 16 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W O O W W W W W W W W W W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.306</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">589</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.75 6.69 3.09 3.05 2.83 2.78 2.70 2.67 2.39 2.39 2.23 2.22 1.90 1.86 1.85 1.80 1.80 1.77 1.77 1.61 1.59 1.57 1.57 1.38</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 D:xy D:xy P:x P:x D:yz D:yz P:z D:yz D:yz D:z2 D:z2 D:z2 D:xy D:xy D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 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">1 14 3 16 5 18 18 5 15 2 47 70 4 17 26 3 16 4 17 16 17 4 3 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W O O W W O W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">590</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.74 10.65 4.30 4.27 4.16 4.11 3.53 3.52 3.10 3.08 3.02 3.00 2.95 2.95 1.67 1.67 1.41 1.40 1.30 1.29 1.18 1.17 1.16 1.12 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy P:x P:x D:xy D:xy P:y P:y D:z2 D:z2 D:z2 D:yz D:yz D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:y P:y D:xz D:xz P:z P:z D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">6 11 63 58 19 9 48 92 7 12 19 9 19 9 7 12 10 20 50 55 9 19 92 48 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W O O W W O O W W W W W W W W W W O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.225</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">591</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.28 9.12 5.87 5.83 4.07 4.04 2.75 2.74 2.31 2.29 2.04 2.01 1.92 1.90 1.87 1.85 1.73 1.72 1.54 1.52 1.37 1.28 1.15 1.13 1.13 1.10 1.10 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:yz D:z2 D:z2 P:z P:z D:x2-y2 D:x2-y2 P:y P:y D:z2 D:z2 D:yz D:xy D:yz D:xy P:y P:y P:y P:y D:z2 D:z2 P:z D:xy P:z D:yz D:xy D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 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="29">6 11 7 12 63 58 7 12 50 55 19 9 9 8 19 13 48 92 88 78 11 6 55 19 50 8 9 13 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W O O W W O O W W W W W W O O O O W W O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">592</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.85 5.82 5.36 5.36 4.36 4.32 4.22 4.19 2.73 2.71 1.81 1.81 1.73 1.73 1.60 1.57 1.49 1.48 1.43 1.42 1.41 1.37 1.29 1.28 1.25 1.25 1.24 1.24 1.16 1.14 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:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:y P:y D:xy D:xy P:z P:z P:z P:z D:yz D:yz P:z P:z P:y P:z P:y P:z D:yz D:yz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">5 18 2 15 16 3 17 4 4 17 16 3 42 68 2 15 44 69 49 71 4 17 68 42 31 64 64 31 3 16 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W O O W W O O O O W W O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">593</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.96 4.95 4.34 3.98 3.90 3.51 3.33 3.29 3.21 3.20 2.96 2.89 2.56 2.56 2.26 2.19 1.87 1.76 1.69 1.68 1.52 1.47 1.27 1.24 1.12 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">D:xz D:xz P:x D:xy D:xz D:x2-y2 P:x P:x D:x2-y2 D:xz D:xy D:xy D:x2-y2 P:x D:x2-y2 P:x D:xy D:xy D:xy P:x P:x D:z2 D:yz P:x P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -6.750 -10.027 -10.027 -6.750 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.33 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 1.33 1.33 0.80 1.00 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">5 18 49 2 2 5 71 44 18 15 5 15 2 69 15 41 3 18 16 45 36 5 101 25 98 100 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W O W W W O O W W W W W O W O W W W O O W Tc O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.130</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">594</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.11 6.10 5.25 4.13 3.66 3.63 3.04 2.96 2.90 2.88 2.77 2.73 2.73 2.68 2.33 1.99 1.98 1.93 1.87 1.77 1.57 1.56 1.36 1.29 1.19 1.18 1.13 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xy D:xy D:xy P:x D:z2 D:z2 D:z2 D:xy D:xy D:xz D:z2 P:x P:x D:xz D:z2 P:x D:z2 P:x D:xz P:x D:xz P:x P:z P:x D:yz P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">18 5 15 2 71 18 5 15 1 14 18 2 69 49 15 16 44 3 45 5 98 2 41 71 36 18 49 69 47 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W O W W W W W W W O O W W O W O W 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">-0.973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">595</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.09 8.00 4.41 4.38 4.05 4.01 3.95 3.93 3.12 2.18 2.05 1.83 1.83 1.64 1.63 1.52 1.27 1.26 1.16 1.14 1.13 1.12 1.11 1.10 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xy D:xy D:xy D:xz D:xy D:xz P:x D:x2-y2 D:x2-y2 P:x P:x D:xz D:xz P:x D:xz D:xz D:x2-y2 D:z2 D:z2 P:y P:y D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">19 9 6 11 8 19 13 9 93 9 19 63 58 13 8 86 11 6 13 13 8 92 48 8 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O W W O O W W O 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">-0.921</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">596</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.31 5.23 4.57 4.48 4.00 3.92 3.31 3.27 3.13 3.09 2.60 2.58 2.54 2.48 2.28 2.28 2.14 2.12 1.97 1.96 1.63 1.61 1.57 1.52 1.41 1.39</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:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x D:z2 D:xy D:z2 D:xy P:x P:x D:yz D:yz P:x P:x P:x P:x D:xy D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">16 3 3 16 4 17 16 3 31 64 4 3 17 16 35 97 4 17 42 68 43 54 17 4 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O W W W W O O W W O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">597</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.08 7.06 5.64 5.55 4.45 4.41 4.32 4.32 3.30 3.30 2.74 2.72 2.15 2.13 1.90 1.89 1.66 1.65 1.62 1.56 1.29 1.28 1.18 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">D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:x P:x P:x P:x P:x P:x P:x P:x D:xz D:xz D:yz D:yz P:z P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">16 3 16 3 17 4 17 4 64 31 97 35 68 42 54 43 3 16 16 3 64 31 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W O O O O O O O O W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.894</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">598</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">14.22 14.13 4.63 4.62 3.53 3.50 2.94 2.93 1.82 1.79 1.62 1.59 1.57 1.54 1.50 1.48 1.33 1.24 1.24 1.08 1.07 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 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xy P:x P:x D:xz D:xz D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz D:xy D:xy D:yz D:yz P:x P:y P:y D:xz D:xz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 4.727 4.727</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 11 58 63 12 7 12 7 6 11 9 19 9 19 8 13 85 50 55 10 20 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W O O W W W W W W W W W W W W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">599</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">16.04 15.71 6.05 5.99 1.98 1.97 1.95 1.87 1.85 1.80 1.76 1.68 1.41 1.34 1.30 1.29 1.28 1.26 1.14 1.12 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 2 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:yz D:yz P:z P:z D:xy D:z2 D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:xy D:yz D:xy P:z D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 4.727 -4.411 4.727 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 11 63 58 13 11 8 7 6 19 12 9 19 9 6 6 11 11 93 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W O O W W W W W W W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">600</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.24 5.11 4.81 4.69 4.56 4.41 2.90 2.82 2.49 2.39 1.86 1.81 1.78 1.66 1.55 1.49 1.46 1.45 1.37 1.32 1.32 1.31 1.28 1.25 1.24 1.16 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:yz D:yz D:z2 D:z2 D:z2 D:z2 P:y P:y D:z2 D:z2 D:x2-y2 D:xy D:x2-y2 D:xy D:yz D:xz D:xz D:yz P:z P:z P:y P:y P:y P:y D:x2-y2 D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">8 13 13 8 12 7 88 78 20 10 13 8 8 13 9 20 10 19 78 88 50 84 55 89 20 11 10 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O O W W W W W W W W W W O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">601</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.64 5.59 3.87 3.84 3.74 3.70 3.19 3.13 2.80 2.79 2.70 2.69 2.23 2.21 2.21 2.19 1.87 1.82 1.70 1.61 1.61 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:xy D:xy D:xy D:xy D:yz D:yz D:xy D:xy P:z P:z P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 2 5 18 2 15 15 2 4 17 5 18 18 5 3 16 28 26 28 60 25 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">602</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.11 7.09 5.34 5.22 4.33 3.78 3.68 3.67 2.75 2.69 1.90 1.86 1.78 1.77 1.38 1.29 1.23 1.17 1.12 1.11 1.06 1.06 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:xy D:xy D:xy D:yz D:yz D:x2-y2 D:x2-y2 D:xz D:xz D:z2 D:z2 D:xz D:xz D:z2 D:z2 D:yz D:yz P:y P:y P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 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 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">8 13 20 10 103 102 12 7 13 8 19 9 10 20 7 12 11 6 74 76 91 75 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W Tc Tc W W W W W W W W W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">603</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.35 8.34 3.60 3.58 3.57 3.56 2.74 2.73 2.34 2.33 2.11 2.08 1.34 1.34 1.28 1.28 1.27 1.27 1.25 1.24 1.19 1.18 1.16 1.15 1.10 1.10 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:xy D:x2-y2 D:xy D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy P:y P:y P:z P:x P:x P:z P:x P:x P:x P:x D:xz D:xz P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">14 1 17 14 4 1 2 15 3 16 18 5 61 27 66 66 33 33 34 67 65 32 2 15 29 62 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W O O O O O O O O O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">604</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.50 8.46 4.53 4.52 3.75 3.73 3.66 3.62 3.45 3.39 1.93 1.90 1.63 1.61 1.48 1.47 1.39 1.32 1.27 1.16 1.16 1.11 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:z2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:z P:z D:z2 D:z2 D:yz D:xy D:xy P:y P:y P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">20 10 13 8 19 9 10 20 9 19 84 89 89 84 12 7 103 7 12 79 24 92 48 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W O O O O W W Tc W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.613</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">605</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">5.19 5.13 2.94 2.70 2.68 1.90 1.88 1.83 1.83 1.68 1.48 1.48 1.47 1.46 1.42 1.31 1.21 1.16 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">D:z2 D:z2 D:x2-y2 D:xz D:xz D:xz D:z2 D:xz D:z2 P:x D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 1.00 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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">7 12 100 7 12 10 10 20 20 85 13 9 19 8 12 7 12 7 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W Tc W W W W W W O W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.606</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">606</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.91 2.85 2.82 2.04 2.03 1.72 1.71 1.54 1.54 1.48 1.35 1.34 1.29 1.26 1.24 1.22 1.20 1.16 1.15 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:z2 D:z2 D:xy D:xy D:xz D:xz D:yz D:yz S D:xz D:xz D:xz D:xz D:xy D:xy P:x D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -15.731 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 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="21">100 7 12 3 16 4 17 2 15 104 7 12 16 3 4 17 22 1 14 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc W W W W W W W W P 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">-0.518</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">607</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.50 4.18 4.14 3.59 3.51 3.50 3.11 3.10 3.07 3.07 2.92 2.92 2.82 2.81 2.61 2.61 2.35 2.34 2.22 2.22 1.44 1.44 1.34 1.33 1.16 1.16</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:x2-y2 D:x2-y2 D:yz D:xz D:xz D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z D:xy D:xy P:x P:x D:z2 D:z2 D:xy D:xy P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">101 2 15 100 15 2 15 2 5 18 25 60 4 17 69 44 18 5 16 3 97 35 71 49 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc W W Tc W W W W W W O O W W O O W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.505</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">608</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.52 5.50 3.59 3.35 2.93 2.83 2.74 2.69 2.44 2.39 2.20 2.18 2.15 2.14 1.95 1.95 1.82 1.75 1.70 1.66 1.58 1.40 1.36 1.36 1.32 1.27 1.26 1.22 1.18 1.16 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xy D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 P:x P:x D:yz D:yz D:yz D:yz P:x D:z2 P:x P:x D:yz D:z2 D:yz P:x S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 1.164 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 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 0.80 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">12 7 9 19 9 19 20 10 9 19 13 102 8 8 13 48 92 8 13 9 19 51 8 85 95 12 13 7 88 102 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W Tc W W W O O W W W W O W O O W W W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.475</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">609</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.06 6.04 4.47 4.47 3.13 3.11 3.08 3.04 2.28 2.27 2.06 2.05 1.69 1.63 1.63 1.61 1.37 1.34 1.32 1.31 1.18 1.16 1.16 1.10 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:yz D:xy D:xy D:xy D:xy D:x2-y2 D:z2 D:yz D:yz D:z2 D:z2 P:y P:y D:z2 D:z2 P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">5 18 15 2 14 1 4 17 18 5 15 2 100 100 3 16 17 4 34 67 16 3 26 37 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W Tc Tc W W W W O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.474</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">610</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.85 3.74 3.41 3.29 3.04 3.03 2.97 2.90 2.04 2.00 1.96 1.95 1.92 1.90 1.90 1.87 1.77 1.73 1.71 1.70 1.68 1.66 1.64 1.62 1.61 1.59 1.57 1.42 1.41 1.40 1.37 1.26 1.17 1.15 1.10 1.04 1.02</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">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:z2 D:z2 P:x D:xy P:x P:x D:xy D:x2-y2 P:x D:x2-y2 D:yz D:x2-y2 D:yz D:xz D:xz D:x2-y2 D:xy D:xz P:x D:xz P:x D:yz P:x D:xy P:x D:yz D:yz P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -6.750 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.00 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="37">19 9 13 8 7 12 19 9 55 10 50 92 20 12 48 7 13 10 8 19 9 20 7 20 95 10 51 102 89 12 84 19 9 78 88 57 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">W W W W W W W W O W O O W W O W W W W W W W W W O W O Tc O W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.401</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">611</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.17 4.04 3.08 3.08 2.96 2.83 2.80 2.76 2.75 2.67 2.52 2.50 2.47 2.46 2.43 2.34 2.06 1.96 1.70 1.64 1.42 1.38 1.24 1.22 1.22 1.20 1.20 1.18 1.15 1.10 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:z2 D:z2 D:xy D:z2 D:z2 D:xz D:z2 D:z2 D:xz P:x P:x P:x P:x P:x P:x P:x P:x D:yz D:x2-y2 D:yz D:x2-y2 P:x P:x D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">12 7 19 9 12 7 20 8 13 10 20 9 12 19 10 7 50 55 82 57 48 92 51 95 9 8 19 13 84 89 20 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W W O O O O O O O O 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">-0.385</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">612</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.04 5.98 5.92 5.26 3.16 2.96 2.95 2.68 2.46 2.42 2.07 1.83 1.81 1.81 1.81 1.72 1.59 1.39 1.38 1.31 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:x2-y2 D:xy D:x2-y2 D:xz P:x P:x P:x D:yz D:yz D:z2 P:x D:x2-y2 P:x P:x D:x2-y2 S D:z2 D:z2 D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -6.750 -4.411 -6.750 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -4.411 -10.027 -10.027 -4.411 -15.731 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 1.00 0.80 1.00 1.00 1.33 1.33 1.33 0.80 0.80 1.00 1.33 0.80 1.33 1.33 0.80 2.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">7 102 12 103 103 50 55 39 12 7 102 21 12 57 82 7 105 7 12 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W Tc W Tc Tc O O O W W Tc O W O O W P W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">613</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">15.38 15.34 3.94 3.93 2.37 2.36 2.02 2.01 2.00 1.99 1.88 1.87 1.86 1.86 1.70 1.70 1.17 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xy D:xy P:x P:x P:y P:y P:y P:y D:z2 D:z2 D:yz D:yz D:xy D:xy D:yz D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">14 1 47 70 62 29 65 32 2 15 16 3 14 1 14 1 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O O O O O O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.312</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">614</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">14.28 14.23 3.88 3.86 2.53 2.52 2.47 2.45 2.00 1.99 1.82 1.81 1.80 1.79 1.74 1.74 1.31 1.29 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:yz P:z P:z D:z2 D:z2 P:y P:y P:y P:y D:xy D:xy D:xy D:xy D:yz D:yz D:z2 D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">1 14 47 70 5 18 66 33 34 67 4 1 17 14 1 14 2 15 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W O O W W O O O O 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">-0.284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">615</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.97 2.74 2.43 2.42 2.08 2.00 1.92 1.91 1.35 1.34 1.33 1.31 1.30 1.30 1.29 1.28 1.24 1.21 1.07 1.06 1.06 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">D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:x2-y2 D:xy D:xy D:x2-y2 D:xz D:yz D:yz D:xz D:xy D:xy P:z D:xz P:x P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 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 1.33 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">103 102 2 15 7 12 16 3 13 10 20 8 13 19 9 8 9 19 28 102 89 84 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc W W W W W W W W W W W W W W W W O Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.276</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">616</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">4.41 4.39 2.17 2.16 2.13 1.90 1.89 1.79 1.75 1.57 1.48 1.46 1.24 1.23 1.15 1.15 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 P:z P:z D:xy D:xy D:xz D:xz D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">2 15 102 5 18 5 18 103 28 26 4 17 5 18 17 4 34 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W Tc W W W W Tc O O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">617</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.03 4.02 3.17 3.12 2.89 2.89 2.69 2.67 2.35 2.32 2.31 2.31 2.31 2.22 2.22 2.17 2.17 1.75 1.72 1.61 1.58 1.38 1.32 1.29 1.28 1.02 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:z2 D:z2 P:z P:y D:x2-y2 D:x2-y2 P:y P:z P:z D:xz D:xz D:xy D:xy D:xy D:xy D:z2 D:x2-y2 D:xz D:xz D:z2 P:x D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">2 15 3 16 15 2 16 3 30 31 18 5 64 60 25 5 18 4 17 16 3 100 100 3 16 18 69 5 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W O O W W O O O W W W W W W Tc Tc W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">618</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.31 7.29 5.74 5.73 2.75 2.74 2.61 2.57 1.92 1.92 1.52 1.51 1.23 1.22 1.22 1.20 1.15 1.15 1.14 1.14 1.11 1.10 1.10 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">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:yz D:yz P:z P:z D:xz D:xz P:x P:x D:xz D:xz P:x P:x P:x P:x P:x P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">3 16 17 4 14 1 4 17 27 61 15 2 64 31 17 4 43 54 97 35 68 37 42 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W O O W W O O W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">619</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">11.44 11.44 2.69 2.68 2.59 2.56 2.49 2.25 2.22 1.91 1.55 1.52 1.50 1.48 1.35 1.35 1.28 1.26 1.19 1.18 1.18 1.17 1.12 1.12 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 2 2 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:xy D:xy D:xy D:xy P:z D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz D:xy D:xy D:z2 D:z2 P:y P:y D:yz P:x D:yz P:x P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.00 0.00 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">17 4 1 14 4 17 37 16 3 100 18 5 2 15 17 4 68 42 3 42 16 68 54 43 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W W Tc W W W W W W O O W O W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">620</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.06 6.99 6.66 6.58 3.31 3.22 2.34 2.30 2.16 2.15 2.13 2.12 1.86 1.60 1.43 1.35 1.26 1.23 1.21 1.21 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy D:xy D:xy D:yz D:yz D:xy D:xy D:z2 D:z2 D:z2 D:z2 P:x P:x P:z P:z P:y P:y D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">20 10 8 13 20 10 9 19 10 7 20 12 73 86 73 85 74 76 8 13 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W O O O O O O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">621</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.65 7.58 6.40 6.34 4.47 4.46 3.13 3.11 1.98 1.95 1.72 1.71 1.42 1.41 1.21 1.21 1.07 1.07 1.06 1.06 1.05 1.03 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:xy D:xy D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y P:x P:x D:xy D:xy D:yz P:y P:y D:yz P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -0.512</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 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">11 6 13 8 10 20 9 19 6 11 76 74 99 77 12 7 20 81 56 10 79 24 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O O O O W W W O O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">622</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.61 7.54 5.92 5.91 5.47 5.43 4.41 4.38 3.19 3.16 3.02 3.00 2.53 2.53 1.89 1.88 1.63 1.63 1.59 1.58 1.26 1.25 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:z P:z D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:x P:x P:x P:x D:yz D:yz D:xz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">4 17 4 17 3 16 27 61 16 3 43 54 42 68 97 35 31 64 17 4 17 4 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O W W O O O O O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.071</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">623</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.91 5.86 4.67 4.61 2.71 2.67 2.63 2.62 2.33 2.05 2.01 1.89 1.84 1.63 1.62 1.60 1.56 1.36 1.33 1.32 1.32 1.27 1.26 1.23 1.21 1.15 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:yz D:yz D:yz D:yz D:z2 D:z2 P:z D:yz D:yz D:xz D:xz D:z2 P:y P:y D:z2 P:z P:y D:x2-y2 P:y D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">7 12 8 13 11 6 20 10 85 9 19 7 12 13 94 87 8 86 50 6 55 7 11 12 12 7 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W O W W W W W O O W O O W O W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.138</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">624</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">13.78 13.75 3.26 3.26 2.71 2.69 2.24 2.21 1.84 1.84 1.84 1.83 1.73 1.72 1.65 1.64 1.39 1.37</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xy D:xy P:x P:x D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:xy D:xz D:xy P:y P:y P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 4.727 -4.411 4.727 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.00 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 11 58 63 10 20 7 12 7 6 12 11 77 99 94 87 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O O W W W W W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">625</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.75 4.28 4.26 3.10 3.09 2.59 2.45 2.45 2.26 2.24 2.22 1.63 1.62 1.58 1.51 1.51 1.45 1.44 1.38 1.38 1.15 1.15</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:xz D:xz D:x2-y2 D:x2-y2 D:z2 D:yz D:yz P:x D:x2-y2 D:x2-y2 D:yz D:yz P:z D:xz D:xz D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 0.80 0.80 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="22">100 15 2 16 3 100 1 14 22 17 4 3 16 30 5 18 2 15 60 25 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc W W W W Tc W W O W W 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">0.159</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">626</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.54 9.50 5.61 3.92 3.90 3.53 3.50 3.28 2.92 2.76 1.83 1.80 1.61 1.47 1.47 1.26 1.25 1.20 1.19 1.15 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 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 P:z D:x2-y2 D:x2-y2 P:y P:y D:x2-y2 D:xy D:xy P:y P:y P:x D:z2 D:z2 D:yz D:yz D:yz D:yz D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 4.727 4.727 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 0.00 0.00 0.80 0.80 0.80 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">9 19 93 9 19 48 92 103 19 9 79 24 39 9 19 9 11 6 19 103 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W O W W O O Tc W W O O O W W W W W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.193</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">627</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.19 6.34 4.19 4.17 3.89 3.86 2.98 2.96 2.49 2.08 2.08 1.48 1.39 1.39 1.31 1.27 1.26 1.22 1.19 1.17 1.12 1.09 1.00 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 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:z2 D:xy D:xy D:z2 D:z2 D:yz D:yz P:x D:xy D:xy D:xz D:z2 D:z2 P:x S D:yz D:yz D:z2 D:z2 S P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -6.581 -4.411 -4.411 -4.411 -4.411 -5.732 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 1.33 1.00 0.80 0.80 0.80 0.80 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">100 100 2 15 17 4 14 1 22 18 5 100 16 3 28 106 4 17 1 14 100 37 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc W W W W W W O W W Tc W W O H W W W W Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">628</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.38 7.23 5.48 5.42 4.39 4.23 2.43 2.43 1.96 1.87 1.84 1.75 1.72 1.64 1.63 1.51 1.46 1.40 1.38 1.13 1.13 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">D:yz D:yz D:xz D:xz D:x2-y2 D:x2-y2 D:xy D:xy D:yz P:y P:y P:z P:z D:xy D:xy D:xy D:xy P:x P:x D:x2-y2 D:x2-y2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027</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 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 11 20 10 20 10 10 20 102 80 53 63 58 6 11 12 7 53 80 6 11 103 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W Tc O O O O W W W W O O W W Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">629</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.48 7.44 6.30 6.24 4.44 3.97 3.89 3.83 2.05 1.99 1.71 1.67 1.65 1.63 1.63 1.61 1.42 1.42 1.15 1.12 1.11 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:yz D:yz D:yz D:yz D:z2 D:z2 P:z P:z D:xz D:xz D:z2 D:z2 P:x P:x P:z P:z D:x2-y2 D:z2 D:x2-y2 D:yz D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 4.727 -4.411 4.727</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">10 20 11 6 102 103 12 7 75 91 20 10 8 13 84 89 58 63 20 19 10 11 9 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W Tc Tc W W O O W W W W O O O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">630</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.46 6.37 5.53 4.22 2.79 2.72 2.59 2.47 2.42 2.40 2.11 2.10 2.04 1.78 1.69 1.69 1.63 1.53 1.48 1.33 1.31 1.20 1.17 1.11 1.11 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 3 2 1 1 2 1 1 1 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:x2-y2 D:x2-y2 S S D:z2 S S D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz P:z P:z P:z D:z2 D:z2 P:x P:y P:y D:xz D:xz D:yz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 1.164 -5.732 -6.750 -6.581 3.073 -4.411 -4.411 -4.411 -6.750 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.00 0.00 2.00 1.00 1.00 0.00 0.80 0.80 0.80 1.00 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">13 8 102 102 102 102 107 107 19 9 8 103 13 86 74 76 10 20 21 88 78 9 19 9 19 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Tc Tc Tc Tc H H W W W Tc W O O O W W O O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.321</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">631</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.91 10.84 3.69 3.64 2.90 2.88 2.61 2.03 2.03 1.87 1.86 1.44 1.42 1.21 1.15 1.15 1.12 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:z2 D:xy D:xy D:z2 D:z2 P:z D:yz D:yz P:y P:y D:z2 D:z2 P:z D:yz S D:yz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 4.727 4.727 -10.027 -4.411 1.164 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.00 0.00 1.33 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">13 8 8 13 20 10 86 19 9 78 88 13 8 73 20 102 10 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W O W W O O W W O W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.385</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">632</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">33.93 3.36 3.35 2.82 2.79 2.25 2.22 2.12 2.12 2.12 2.10 1.82 1.80 1.65 1.40 1.39 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">D:yz D:xz D:xz P:y P:y D:xy D:xy P:y P:y D:xz D:xz P:z P:z D:yz D:xy D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 18 5 41 45 5 18 97 35 3 16 45 41 100 16 3 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc W W O O W W O O W W O O Tc W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">633</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.84 4.45 3.82 3.70 3.38 3.37 1.97 1.93 1.88 1.81 1.79 1.67 1.42 1.32 1.30 1.27 1.23 1.20 1.20 1.18 1.12 1.11 1.09 1.08 1.07 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 S P:x D:z2 P:z D:z2 D:xy D:xy P:x D:z2 S D:z2 D:xz P:z P:z D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -10.027 -6.750 -10.027 -6.750 -4.411 -4.411 -10.027 -4.411 -5.732 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 1.00 1.33 1.00 0.80 0.80 1.33 0.80 2.00 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">103 102 8 13 10 20 7 12 103 39 103 73 102 11 6 21 9 103 19 102 89 84 10 20 20 10 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc W W W W W W Tc O Tc O Tc W W O W Tc W Tc O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.496</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">634</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.97 7.92 6.30 6.21 4.18 4.08 3.99 3.95 3.08 3.07 2.90 2.83 2.41 2.39 1.71 1.69 1.58 1.57 1.25 1.24 1.23 1.23 1.20 1.18 1.04 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:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 P:z P:z P:x P:x D:x2-y2 D:x2-y2 P:x P:x D:yz D:yz P:x P:x P:z P:z D:xz D:xz P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">13 8 8 13 9 19 74 76 81 56 19 9 78 88 8 13 51 95 88 78 8 13 48 92 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O O O W W O O W W O O O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.540</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">635</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.73 3.70 3.64 3.49 3.47 2.25 2.14 2.01 1.84 1.84 1.76 1.72 1.70 1.62 1.59 1.56 1.53 1.53 1.38 1.28 1.27 1.27 1.26 1.26 1.23 1.22 1.17 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 1 2 3 3 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:x2-y2 S D:xy D:xy D:x2-y2 D:x2-y2 D:z2 P:x D:z2 D:z2 D:yz D:yz D:z2 D:z2 D:z2 S P:z S D:xz P:x S S D:xz D:xz D:xz P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.750 -6.750 1.164 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 1.164 -10.027 -5.732 -4.411 -0.512 1.722 1.722 -4.411 -4.411 -4.411 -10.027 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.00 0.00 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.00 1.33 2.00 0.80 0.00 0.00 0.00 0.80 0.80 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">103 102 103 6 11 13 8 102 39 10 20 8 13 19 103 9 101 86 103 7 101 16 3 20 12 10 21 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc Tc W W W W Tc O W W W W W Tc W Tc O Tc W Tc W W W W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.640</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">636</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.33 3.27 3.14 3.00 2.98 2.78 2.47 2.38 2.37 1.98 1.96 1.84 1.82 1.80 1.79 1.75 -1.63 1.48 1.46 1.46 1.45 1.44 1.40 1.35 1.29 1.29 1.24 1.23 1.20 1.13 1.13 1.13 -1.13 1.11 1.11 -1.07 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 3 3 2 1 1 3 3 3 3 3 3 3 1 1 2 1 3 3 1 1 1 1 3 3 1 1 1 2 1 2 2 3 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:xy D:xy S S S S D:x2-y2 S S S S S S S D:xz D:xz S D:z2 S S P:x P:x D:xy D:xy S S P:z P:z D:x2-y2 S D:x2-y2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.411 -4.411 1.164 1.164 3.073 -6.581 -6.750 1.722 1.722 1.722 1.722 1.164 1.722 1.722 -4.411 -4.411 -5.732 -6.750 1.722 1.722 -10.027 -10.027 -4.411 -4.411 1.722 1.722 -10.027 -10.027 -4.411 -6.402 -4.411 -6.402 -5.732 1.722 1.722 3.851 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.80 0.80 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 2.00 1.00 0.00 0.00 1.33 1.33 0.80 0.80 0.00 0.00 1.33 1.33 0.80 2.00 0.80 2.00 2.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">20 10 100 101 107 107 102 12 7 16 3 103 19 9 20 10 102 102 8 13 89 84 7 12 11 6 75 91 10 12 20 7 103 18 5 105 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W Tc Tc H H Tc W W W W Tc W W W W Tc Tc W W O O W W W W O O W W W W Tc W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">637</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">13.89 4.02 3.00 2.99 2.81 2.81 2.57 2.57 2.50 2.50 2.19 2.18 2.18 -2.05 1.97 1.92 1.83 1.82 -1.71 1.43 1.37 1.34 1.15 1.15 1.03 -1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 1 3 3 3 3 3 3 3 3 3 2 3 3 1 1 1 1 2 3 1 2 2 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S D:x2-y2 S S S S S S S S S S S S P:x D:x2-y2 D:xy D:xy S S D:z2 S S S D:z2 S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.164 -6.750 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -5.732 1.722 3.851 -10.027 -6.750 -4.411 -4.411 -5.732 1.164 -6.750 3.073 -6.402 -6.402 -4.411 -15.731 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.33 1.00 0.80 0.80 2.00 0.00 1.00 0.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">100 103 15 2 18 5 14 1 4 17 16 100 3 104 39 100 10 20 101 103 103 106 18 5 10 104 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc W W W W W W W W W Tc W P O Tc W W Tc Tc Tc H W W W P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">638</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">37.36 3.40 3.38 3.22 3.21 2.17 2.17 2.00 1.98 1.70 1.69 1.50 1.49 1.34 1.33 1.16 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:yz D:xz D:xz D:xz D:xz P:y P:y D:xy D:xy D:xy D:xy P:y P:y P:z P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">100 4 17 15 2 36 98 2 15 17 4 54 43 98 36 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc W W W W O O W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.823</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">639</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">11.22 8.45 3.50 3.49 3.01 3.01 2.93 2.75 2.74 2.07 2.07 1.68 1.67 1.53 -1.48 1.42 1.41 -1.36 1.30 1.29 1.24 1.24 1.23 1.18 1.15 1.15 1.07 1.06 1.05 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 1 1 2 2 3 3 3 3 3 1 1 2 3 1 2 2 3 3 1 1 1 1 3 3 1 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:xz D:xz S S S S S S S D:x2-y2 D:x2-y2 S P:x D:x2-y2 S S S S S D:xz D:xz D:x2-y2 S S P:z P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.164 1.164 -4.411 -4.411 -5.732 -5.732 1.164 1.722 1.722 1.722 1.722 -4.411 -4.411 3.073 2.733 -6.750 -5.732 -5.732 1.722 1.722 -6.581 -4.411 -4.411 -6.750 1.722 1.722 -10.027 -10.027 1.164 3.851</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 1.00 2.00 2.00 0.00 0.00 1.00 0.80 0.80 1.00 0.00 0.00 1.33 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 100 10 20 100 102 101 19 9 13 8 20 10 106 104 102 101 103 11 6 106 7 12 103 12 7 91 75 103 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc W W Tc Tc Tc W W W W W W H P Tc Tc Tc W W H W W Tc W W O O Tc P</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">640</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.57 3.97 3.91 2.93 2.90 2.79 2.77 2.33 2.26 2.02 2.01 1.81 1.76 1.72 1.71 1.45 1.44 1.43 1.43 1.33 1.31 1.31 1.30 1.21 1.19 1.16 1.12 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 1 1 1 1 1 1 3 1 3 3 1 2 1 3 3 3 1 3 3 3 3 3 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S D:xy D:xy D:yz D:yz D:xz D:xz S P:x S S D:x2-y2 S D:x2-y2 S S S D:z2 S S S S S D:z2 D:z2 D:xy D:xy S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.164 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -10.027 1.722 1.722 -4.411 -5.732 -4.411 1.164 1.164 1.722 -6.750 1.722 1.722 1.722 1.722 1.722 -4.411 -4.411 -4.411 -4.411 3.073 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 0.00 0.00 0.80 2.00 0.80 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">100 10 20 11 6 10 20 102 73 12 7 20 100 10 101 103 11 102 6 19 9 8 13 13 8 12 7 106 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc W W W W W W Tc O W W W Tc W Tc Tc W Tc W W W W W W W W W H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.900</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">641</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.84 4.25 4.20 3.69 3.28 3.27 3.06 3.05 2.99 2.99 2.85 -2.41 2.26 2.25 2.05 1.95 1.93 1.56 1.53 1.46 1.30 -1.27 1.07 1.07 1.07 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 2 2 1 1 1 1 1 1 1 2 2 1 1 3 1 1 1 1 3 1 3 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S D:xy D:xy D:yz D:yz D:z2 D:z2 S P:x D:x2-y2 D:x2-y2 S D:z2 D:z2 D:yz D:yz S P:x P:x P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.164 -5.732 3.073 -6.581 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -15.731 -0.512 -4.411 -4.411 3.851 -4.411 -4.411 -4.411 -4.411 1.164 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 2.00 0.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.00 1.33 0.00 1.33 1.33 1.33 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 100 106 106 3 16 16 3 14 1 104 100 1 14 104 15 2 2 15 102 30 104 64 31 70 47 1 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc H H W W W W W W P Tc W W P W W W W Tc O P O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.964</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">642</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">17.73 5.35 4.90 4.84 4.71 3.49 3.49 2.97 2.97 -2.86 2.71 2.70 2.66 2.25 2.05 1.99 1.87 -1.67 1.55 1.54 1.51 1.50 1.22 1.21 1.21 1.15 1.15 1.13 -1.06 -1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 3 3 2 3 3 2 2 3 3 3 2 1 2 1 1 3 1 1 3 3 2 2 2 3 1 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S P:x S S S S S D:x2-y2 S P:x D:yz D:yz S S S S S S P:x S P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.164 1.164 1.164 1.164 -5.732 1.722 1.722 3.073 -5.732 2.733 1.722 1.722 -5.732 -6.581 3.073 -6.750 -6.581 2.733 -4.411 -4.411 1.722 1.722 -5.732 -6.402 -6.402 1.722 -10.027 1.722 -0.512 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 1.00 0.00 1.00 1.00 0.00 0.80 0.80 0.00 0.00 2.00 2.00 2.00 0.00 1.33 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 100 101 103 102 8 13 107 100 105 18 5 103 107 106 102 106 104 2 15 16 3 101 13 8 10 21 20 103 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc Tc Tc Tc W W H Tc P W W Tc H H Tc H P W W W W Tc W W W O W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.004</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">643</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.50 4.49 4.47 4.43 3.20 3.20 2.76 2.74 2.67 2.39 2.37 1.96 1.93 1.62 1.44 1.21 1.18 1.15 1.13 1.11 1.11 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 3 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xz D:yz D:yz D:yz D:yz D:xy D:xy S D:yz D:yz D:z2 D:z2 S P:x D:xy D:xy D:xy D:xy S P:y P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -4.411 -4.411 -4.411 -4.411 1.164 -10.027 -4.411 -4.411 -4.411 -4.411 1.164 -10.027 -10.027 -5.732</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 0.00 0.80 0.80 0.80 0.80 0.00 1.33 0.80 0.80 0.80 0.80 0.00 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">14 1 5 18 17 4 17 4 102 2 15 18 5 103 37 1 14 5 18 101 49 71 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W Tc W W W W Tc O W W W W Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">644</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">36.91 6.90 2.82 2.77 2.09 2.09 1.95 1.88 1.63 1.59 1.56 1.56 1.51 1.50 1.16 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:yz D:yz D:xz D:xz P:y P:y D:xz D:xz P:z P:z D:xy D:xy P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">103 102 12 7 57 82 9 19 82 57 12 7 51 95 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc W W O O W W O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.151</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">645</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">9.37 9.35 -7.82 7.61 7.50 5.45 5.42 5.37 5.37 5.12 5.08 4.83 4.75 4.26 4.19 -3.66 3.26 3.25 2.89 2.87 2.77 2.75 2.59 2.55 2.18 2.17 -1.74 -1.53 1.16 1.15 -1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 3 3 3 3 3 2 2 3 3 3 3 2 2 3 2 2 3 3 2 2 2 2 3 3 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S P:z S S S S S S S S S S S S P:z S S S S S S S S S S P:z P:z S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.722 1.722 2.733 1.722 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 2.733 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -5.665 -0.512 -6.402 -6.402 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 1.00 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">5 18 104 16 3 2 15 5 18 12 7 19 9 16 3 105 2 15 17 4 12 7 19 9 20 10 104 101 17 4 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W P W W W W W W W W W W W W P W W W W W W W W W W P Tc W W Tc</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">646</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">5.52 4.78 4.71 4.50 4.10 3.67 3.62 -3.37 2.83 2.71 2.62 2.55 2.45 2.23 2.16 2.09 2.09 2.03 1.95 1.82 1.79 1.72 1.71 1.69 1.66 1.65 1.54 1.54 1.51 1.45 1.41 -1.37 1.28 1.23 1.22 1.21 1.19 1.16 1.13 -1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 2 3 3 2 3 3 2 2 2 3 3 3 3 3 1 1 3 3 2 3 2 2 2 2 1 1 1 2 2 2 3 2 3 2 1 1 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">S S S S S S S P:x S S S S S S S D:x2-y2 D:x2-y2 S S S S S S S S S D:x2-y2 D:x2-y2 S S S S S S S D:x2-y2 D:x2-y2 S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-6.581 3.073 1.722 1.722 -5.732 1.722 1.722 -0.512 -6.402 -6.402 1.164 1.722 1.722 1.722 1.722 -4.411 -4.411 1.722 1.722 3.073 1.164 -6.402 -6.402 -6.402 -6.402 -6.581 -4.411 -4.411 -5.732 -6.402 -6.402 1.164 -6.402 1.722 -6.402 -4.411 -4.411 -5.732 1.722 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">1.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1.00 0.80 0.80 2.00 2.00 2.00 0.00 2.00 0.00 2.00 0.80 0.80 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">106 106 1 14 100 12 7 100 1 14 102 3 16 4 17 18 5 2 15 107 103 12 2 7 15 107 2 15 102 4 17 101 3 5 16 4 17 101 18 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">H H W W Tc W W Tc W W Tc W W W W W W W W H Tc W W W W H W W Tc W W Tc W W W W W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">647</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">13.37 13.08 -8.94 6.42 6.34 5.32 5.21 4.86 4.78 4.09 3.93 3.14 3.06 3.06 3.03 2.79 2.78 -2.65 2.60 2.57 2.40 2.33 -2.20 2.07 2.03 1.80 1.78 1.77 1.58 1.57 1.24 1.23 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 2 2 3 3 3 3 3 3 3 3 2 2 2 2 2 3 3 2 2 3 3 3 3 3 1 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S P:y S S S S S S S S S S S S S S P:y S S S S P:y S S S S D:yz S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.722 1.722 2.733 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.665 1.722 1.722 -6.402 -6.402 2.733 1.722 1.722 1.722 1.722 -6.750 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">14 1 104 14 1 18 5 16 3 15 2 17 4 18 5 16 3 104 11 6 15 2 105 19 9 7 12 102 17 4 9 19 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W P W W W W W W W W W W W W W W P W W W W P W W W W Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">648</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">24.55 3.71 3.69 2.70 2.68 2.32 2.32 1.82 1.82 1.81 1.78 1.57 1.56 1.38 1.36 -1.08 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 3 1 1 3 1 1 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:xz D:xz D:xz D:xz D:xy D:xy S P:y P:y S D:xy D:xy P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.722 -10.027 -10.027 1.722 -4.411 -4.411 -10.027 -10.027 2.733 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 1.33 0.00 0.80 0.80 1.33 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">102 20 10 8 13 10 20 14 83 59 1 13 8 83 59 104 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc W W W W W W W O O W W W O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">649</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">11.04 10.89 7.96 7.93 6.29 6.20 5.48 5.46 -4.91 4.30 4.21 -3.43 2.93 2.88 2.82 2.78 2.45 2.35 -2.27 2.25 2.20 1.89 1.87 1.82 1.80 -1.65 1.60 1.52 1.48 1.20 1.16 1.13 -1.12 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 3 3 2 2 2 2 3 3 3 3 3 3 3 3 1 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S S P:z S S P:z S S S S S S P:z S S S S S S P:z S S S S S S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 2.733 1.722 1.722 2.733 1.722 1.722 1.722 1.722 -6.581 3.073 -0.512 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -0.512 1.722 1.722 -5.732 1.722 1.722 1.722 -5.665 1.722 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 1.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">10 20 17 4 10 20 17 4 105 7 12 104 13 8 2 15 107 107 102 7 12 2 15 13 8 100 6 11 101 5 18 19 105 9 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W P W W P W W W W H H Tc W W W W W W Tc W W Tc W W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">650</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.48 5.11 4.70 3.77 3.53 3.21 3.02 2.89 -2.65 2.38 2.32 2.28 2.28 2.03 1.95 1.84 1.81 1.77 1.75 1.75 1.71 1.68 1.66 1.64 1.62 1.61 1.59 1.58 1.55 1.54 1.44 1.18 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 2 2 2 2 3 2 3 3 1 3 2 2 2 3 2 1 1 2 1 2 1 2 1 3 1 1 1 3 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S S S P:x S S S S S S S S S D:yz D:yz P:x D:z2 S D:z2 S D:x2-y2 S D:xy D:xy D:x2-y2 S D:z2 D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.722 1.722 1.164 -5.732 -5.732 -6.402 -6.402 1.722 -0.512 1.722 1.722 -6.581 1.722 3.073 -6.402 -6.402 1.722 -6.402 -4.411 -4.411 -0.512 -4.411 -15.731 -4.411 -6.402 -4.411 1.722 -4.411 -4.411 -4.411 1.164 -4.411 -4.411 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 2.00 2.00 0.00 2.00 0.80 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.00 0.80 0.80 0.80 0.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">9 19 102 102 101 9 19 6 102 15 11 107 2 107 6 15 8 2 9 19 101 6 105 11 11 6 13 9 19 11 101 20 10 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W Tc Tc Tc W W W Tc W W H W H W W W W W W Tc W P 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">1.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">651</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">16.28 15.55 -9.43 8.04 7.70 4.95 4.93 4.83 4.79 4.05 3.83 3.43 3.37 3.14 3.10 3.05 2.81 2.80 2.70 2.42 2.20 2.11 2.01 -2.01 2.00 -1.77 1.56 1.45 1.41 1.26 1.17 1.17 1.02 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 2 2 3 3 3 3 3 3 3 3 3 2 2 3 2 2 1 2 2 2 2 2 3 3 3 2 2 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S P:y S S S S S S S S S S S S S S S S D:yz S S S P:y S P:y S S S S S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.722 1.722 2.733 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 1.722 -6.402 -6.402 -6.750 -6.402 -6.402 -6.402 -5.665 -6.402 2.733 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 1.00 2.00 2.00 2.00 1.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">11 6 105 11 6 20 12 7 10 13 8 1 14 19 12 7 9 20 10 102 13 8 1 105 14 104 2 15 19 9 4 17 2 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W P W W W W W W W W W W W W W W W W Tc W W W P W P W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">652</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.89 3.78 2.82 2.81 2.72 2.70 2.59 2.59 2.43 2.36 2.30 2.28 1.99 1.97 1.62 1.62 -1.45 1.40 1.40 1.39 1.38 1.36 1.31 1.23 1.21 1.20 1.18 1.17 1.17 1.16 1.15 1.14 1.12 1.10 1.10 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">3 3 3 2 3 2 1 1 2 2 3 3 2 2 1 1 2 3 3 3 3 3 3 2 1 1 2 1 1 2 1 1 2 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S S S D:z2 D:z2 S S S S S S D:x2-y2 D:x2-y2 P:z S S S S S S S D:yz D:yz P:y D:x2-y2 D:xy P:y D:xy D:x2-y2 S D:x2-y2 D:x2-y2 S D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">1.722 1.722 1.722 -6.402 1.722 -6.402 -4.411 -4.411 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -4.411 -4.411 -0.512 1.722 1.722 1.722 1.722 1.722 1.722 -15.731 -4.411 -4.411 0.156 -4.411 -4.411 0.156 -4.411 -4.411 -6.402 -4.411 -4.411 -6.402 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.00 0.00 0.00 2.00 0.00 2.00 0.80 0.80 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.80 2.00 0.80 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">19 9 2 2 15 15 6 11 19 9 4 17 4 17 6 11 100 10 20 11 18 6 5 105 9 19 6 8 9 11 19 13 18 10 20 5 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W W W W W W W W W W W W Tc W W W W W W P 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">1.546</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">653</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.91 6.58 4.98 4.79 4.74 4.37 4.11 4.09 4.07 3.78 3.25 3.12 3.04 2.82 2.65 2.52 2.37 -2.34 2.22 1.95 1.94 -1.61 1.59 1.38 1.37 1.22 -1.21 1.09 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 2 2 3 3 3 3 2 2 3 2 2 3 2 2 2 2 3 2 3 2 2 3 3 2 3 1 1 3 2</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 P:z S S S P:z S S S S P:z D:x2-y2 D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 1.164 1.722 1.722 1.722 -6.402 -5.732 1.722 -6.402 -6.402 1.722 -6.402 -6.402 -6.402 -0.512 1.722 -6.402 1.722 -0.512 -6.402 1.722 1.722 -6.402 2.733 -4.411 -4.411 1.722 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">8 13 8 13 102 10 20 4 4 102 17 17 16 16 2 10 20 102 2 3 3 100 15 12 15 18 105 19 9 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W Tc W W W W Tc W W W W W W W Tc W W W Tc W W W W P W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">654</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.06 4.32 4.10 3.99 3.96 3.91 3.56 3.20 3.20 3.01 3.00 2.96 2.94 2.62 2.44 2.41 2.14 2.04 1.87 1.81 1.59 1.41 1.41 1.39 1.37 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 2 2 3 2 2 3 2 2 3 3 3 1 1 1 2 1 3 3 1 1 1 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S P:y S S S S S S S S S D:yz D:yz D:xz S D:xz S S D:yz D:yz D:x2-y2 D:x2-y2 S P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.402 -6.402 -5.665 1.722 -6.402 -6.402 1.722 -6.402 -6.402 1.722 1.722 1.722 -4.411 -4.411 -4.411 -6.402 -4.411 1.722 1.722 -6.750 -6.750 -4.411 -4.411 -6.402 -10.027 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 2.00 1.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 0.80 0.80 2.00 0.80 0.00 0.00 1.00 1.00 0.80 0.80 2.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 3 104 15 5 2 5 16 18 3 18 2 3 16 3 17 16 16 17 100 101 1 14 4 30 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W P W W W W W W W W W W W W W W W W Tc Tc W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.571</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">655</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.39 6.38 4.84 4.75 2.78 2.77 2.44 2.43 2.21 2.18 1.74 1.71 1.68 1.67 1.46 1.19 1.18 1.11 1.09 1.09 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">D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:yz D:xy D:xy D:z2 D:yz D:z2 D:yz P:x D:xy D:xy D:z2 D:x2-y2 D:z2 D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</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 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">11 6 7 12 13 8 19 9 13 8 12 10 7 20 86 9 19 20 12 10 7 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">656</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.36 10.25 5.30 5.19 2.45 2.45 2.30 2.26 1.95 1.95 1.95 1.89 1.75 1.74 1.56 1.55 1.27 1.17 1.16 1.14 1.12 1.12 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 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 D:xy P:z P:z D:xy P:z P:z P:z P:z P:x D:xz P:z D:xz P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 0.156 0.156 -26.921</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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 2 16 3 16 3 16 3 15 32 65 2 64 31 69 44 30 16 40 3 16 3 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O O W O O O 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">1.731</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">657</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.56 4.49 3.90 3.82 3.50 3.40 3.28 3.15 2.41 2.37 2.33 2.29 2.24 2.19 2.18 2.11 1.88 1.83 1.69 1.63 1.62 1.45 1.45 1.39 1.31 1.30 1.27 1.20 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 3 3 3 3 2 2 2 3 3 2 2 1 1 2 1 1 1 1 1 2 2 3 2 2 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:x2-y2 D:x2-y2 S S S S S S S S S S S P:y P:y S D:z2 D:z2 P:y D:yz D:yz P:y P:y S S S S P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -10.027 -10.027 -6.402 -4.411 -4.411 -10.027 -4.411 -4.411 0.156 0.156 1.722 -6.402 -6.402 1.722 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 1.33 1.33 2.00 0.80 0.80 1.33 0.80 0.80 0.00 0.00 0.00 2.00 2.00 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 14 16 3 19 9 9 19 3 10 20 16 20 47 70 10 1 14 30 2 15 1 14 7 12 7 12 28 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W O O W W W O W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">658</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.53 10.52 5.17 5.10 2.53 2.44 2.37 2.35 2.32 2.31 2.01 2.00 1.86 1.85 1.76 1.50 1.49 1.23 1.23 1.04 1.04 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 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:z P:z P:z P:z P:x P:z P:z P:z P:z P:z P:y P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 0.156 0.156 -10.027 -10.027 -10.027 -26.921</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">5 18 17 4 4 17 17 5 18 4 34 67 71 49 37 42 68 18 5 38 49 71 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.784</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">659</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.61 7.37 7.04 6.77 5.54 5.44 5.36 5.25 4.89 4.85 4.78 4.76 3.69 3.67 3.36 3.34 1.66 1.58 1.58 1.58 1.30 1.25 1.22 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 2 2 3 3 2 2 2 3 3 2 2 2 3 3 3 1 3 1 2 3 2 3</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 D:yz S D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 1.722 -4.411 1.722 -4.411 -6.402 1.722 -6.402 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.80 0.00 0.80 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">13 8 13 8 7 12 7 12 15 15 2 2 16 3 16 3 18 2 5 15 18 11 5 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">660</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.81 7.59 7.56 7.49 5.40 5.06 5.03 4.91 4.55 4.53 4.51 4.25 3.76 3.61 3.58 3.49 1.47 1.32 1.21 1.19 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 2 2 3 3 3 2 2 2 2 3 3 2 2 3 3 1 1 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 D:yz D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">1.722 -6.402 -6.402 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -4.411 -4.411 1.722 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 17 4 4 20 10 20 10 9 19 9 19 18 5 5 18 1 14 5 18 14 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">661</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.67 11.47 10.27 10.05 3.21 3.07 2.92 2.42 2.31 2.10 2.04 1.94 1.90 1.89 1.77 1.71 1.70 1.68 -1.60 1.55 1.48 1.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 2 2 2 2 1 1 3 3 2 2 2 3 1 3 1 3 2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S D:x2-y2 D:x2-y2 S S S P:x S S D:xz S D:xz S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 -6.402 -6.402 -5.732 -4.411 -4.411 1.722 1.722 -6.402 -0.512 -6.402 1.722 -4.411 1.722 -4.411 1.164 -6.402 -6.402 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 0.80 0.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 14 1 14 3 16 101 14 1 7 12 7 101 12 6 3 11 16 101 6 11 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W Tc W W W W W Tc W W W W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">662</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.13 7.06 6.34 6.27 4.58 4.56 3.66 3.66 3.36 3.28 3.22 3.14 3.11 2.97 2.94 2.81 -2.50 2.43 2.41 2.10 2.09 2.01 1.80 1.68 1.68 1.59 1.48 1.46 1.45 1.43 1.42 -1.33 -1.32</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">2 2 3 3 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 3 2 3 2 3 2 2</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 P:z S S S S S S S S S S S S S S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -0.512 -6.402 -6.402 1.722 1.722 -5.732 1.722 1.164 1.722 1.722 1.722 -6.402 1.722 -6.402 1.722 -0.512 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">19 9 19 9 3 16 3 16 12 7 12 7 4 8 17 13 103 18 5 18 5 102 8 102 13 4 17 14 14 1 1 101 102</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 Tc W W W W Tc W Tc W W W W W W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">663</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.14 9.24 4.37 3.68 3.64 2.17 1.96 1.93 1.84 1.59 1.53 1.47 1.31 1.30 1.28 1.23 1.17 1.17 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz D:xz D:yz P:y D:yz D:x2-y2 P:y D:x2-y2 D:yz S D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz D:xz D:yz D:z2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -6.750 -6.402 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">14 1 17 37 4 17 26 1 100 15 18 4 14 5 3 16 2 17 16 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W O W W O W Tc W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.920</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">664</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">9.57 8.32 6.07 5.98 5.04 4.65 4.36 4.09 3.94 3.69 3.47 2.85 2.77 2.54 2.47 2.44 2.43 2.25 -2.24 -1.76 1.71 1.57 1.47 1.41 1.33 1.31 -1.24 1.18 -1.15 1.14 1.10 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 3 3 3 2 3 2 2 2 1 3 2 2 2 2 3 1 2 3 1 3 2 2 2 3 3 1 3 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S S S P:x S S S S D:xz P:x S D:x2-y2 S S S S S P:x D:xz S D:xz S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 1.722 -6.402 1.722 -6.402 -6.402 -6.402 -6.581 1.722 -0.512 -6.402 3.073 -5.732 1.722 -4.411 -0.512 1.164 -4.411 1.722 -6.402 -6.402 -6.402 1.722 2.733 -4.411 1.164 -4.411 -6.402 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 1.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 0.00 0.80 0.00 2.00 2.00 2.00 0.00 0.00 0.80 0.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">2 15 15 2 4 4 17 17 14 1 106 14 101 5 106 101 1 1 100 100 5 6 18 9 6 11 104 3 101 5 11 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W H W Tc W H Tc W W Tc Tc W W W W W W P W Tc W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.980</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">665</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">10.57 10.54 10.46 10.44 6.14 6.01 5.73 5.62 5.30 5.18 4.35 4.25 -3.46 -2.89 -2.28 2.27 -2.20 2.19 2.09 2.02 1.95 1.88 1.87 1.81 1.43 1.20 1.15 1.12 1.10 -1.01 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 3 3 3 2 2 2 2 3 3 2 2 3 2 3 2 3 3 2 2 3 3 1 2 2 2 2 2 2</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 S S S S S S S S S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -5.732 -5.732 1.164 -6.402 1.164 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.581 -6.402 -6.402 -6.402 -6.402 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 2.00 2.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">6 11 6 11 7 12 7 12 5 18 5 18 103 101 101 9 103 19 9 19 3 16 3 16 106 2 15 14 1 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W Tc Tc Tc W Tc W W W W W W W H W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">666</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.61 8.33 8.00 7.74 7.62 7.38 6.39 6.18 3.39 3.37 3.36 -2.99 2.95 2.95 -2.19 2.13 2.05 -1.99 1.98 1.95 1.92 1.91 1.86 1.42 1.35 1.28 1.28 1.28 1.17 1.17 -1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 3 3 2 2 3 3 2 3 3 3 2 2 2 3 3 2 3 2 3 1 2 2 2 2 2 3 2 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S S S S S P:x S S S S S S S S S S S S S S S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -5.732 1.722 1.722 1.164 -6.402 -6.402 -0.512 1.722 1.722 -5.732 1.722 -6.402 1.722 -6.581 -6.402 -6.402 -6.402 -6.402 3.073 1.722 -6.402 1.722 2.733 1.164</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 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 0.00 0.00 0.00 2.00 0.00 2.00 0.00 1.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">8 13 8 13 10 20 10 20 102 6 11 102 6 11 102 5 18 101 3 5 16 107 18 3 16 7 107 7 12 12 105 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W Tc W W Tc W W Tc W W Tc W W W H W W W W H W W W P Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.77 4.67 3.32 3.30 3.27 3.22 2.39 2.31 1.99 1.97 1.93 1.87 1.84 1.79 1.72 1.67 1.66 1.65 1.63 1.63 1.56 1.56 1.47 1.43 1.42 1.40 1.32 1.28 1.21 1.18 1.16 1.15 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">2 2 3 3 1 1 2 2 2 1 1 2 3 2 2 3 1 2 1 2 3 3 3 3 2 2 2 2 3 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S D:xz D:xz S S S D:xz D:xz S S S S S D:x2-y2 S D:x2-y2 S S S S S S S S S S D:x2-y2 D:x2-y2 S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.402 -4.411 -4.411 -6.402 1.722 -6.402 -6.402 1.722 -4.411 -6.402 -4.411 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 -4.411 -4.411 1.722 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">2.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 2.00 0.80 0.80 2.00 0.00 2.00 2.00 0.00 0.80 2.00 0.80 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.80 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">17 4 4 17 3 16 1 14 13 18 5 8 13 19 20 8 5 9 18 10 12 20 7 10 12 15 2 7 19 2 15 9 2 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.131</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">668</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.21 3.97 3.66 3.66 2.63 2.58 2.20 2.20 2.20 2.14 1.64 1.62 1.47 1.37 1.16 1.14 1.10 1.06 1.06 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">3 3 2 2 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 S S S S S P:y P:y S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 -6.402 -10.027 -10.027 -6.402 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 0.00 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00 2.00 2.00 2.00 1.33 1.33 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">13 8 13 8 6 11 4 17 15 2 15 2 15 2 18 5 19 58 63 9 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.146</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">669</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.15 5.06 2.93 2.78 2.54 2.53 2.53 2.16 2.07 1.79 1.72 1.68 1.64 1.63 1.59 1.58 1.57 1.56 1.54 1.50 1.50 1.44 1.41 1.41 1.34 1.33 1.21 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 3 3 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 1 3 1 3 2 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:x2-y2 D:x2-y2 S S P:y P:y P:y D:z2 D:z2 D:yz D:yz D:yz P:y S S P:y P:y S S S S D:x2-y2 S D:x2-y2 S S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 1.722 1.722 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -5.665 -6.402 -6.402 0.156 0.156 -6.402 -6.402 -6.402 -6.402 -4.411 1.722 -4.411 1.722 -6.402 -6.402 -6.750 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.00 0.00 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.00 0.80 0.00 2.00 2.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">6 11 19 9 63 93 58 6 11 19 9 103 105 6 2 6 11 9 11 15 19 19 10 9 20 13 8 102 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W O O O W W W W Tc P W W W W W W W W W W W W W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">670</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.19 6.18 5.98 5.96 5.20 5.19 4.70 4.67 4.30 4.30 3.34 3.26 2.91 2.88 2.87 2.85 2.55 2.53 2.47 2.46 2.14 2.10 2.09 2.05 1.98 1.98 1.60 1.58 1.57 1.57</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 3 3 3 3 3 2 2 3 3 3 3 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S S S S S S S S S S S S S S S S S S S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">4 17 20 10 2 15 16 3 20 10 5 18 8 13 17 4 16 3 2 15 7 12 5 18 13 8 7 12 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">671</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.74 6.70 4.24 4.10 2.28 2.21 2.19 2.17 1.83 1.79 1.70 1.60 1.36 1.36 1.34 1.30 1.29 1.26 1.20 1.19 1.17 1.03 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 2 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:yz D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:yz D:yz D:xy D:xy P:x D:x2-y2 D:x2-y2 P:z P:z S D:xy D:xy S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -5.732 -4.411 -4.411 1.164 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 2.00 0.80 0.80 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">12 7 13 8 8 9 13 19 10 20 13 8 86 9 19 94 87 103 12 7 101 50 55</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 O O Tc W W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">672</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">12.64 12.61 3.11 3.08 2.35 2.31 2.14 2.10 1.88 1.88 1.78 1.77 1.58 1.58 1.58 1.57 1.34 1.31 1.30 1.27 1.15 1.09 1.09 1.08 1.07 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 2 1 2 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:xy D:xy D:yz D:yz D:yz D:yz P:z P:z P:z P:z D:xz P:z D:xz P:z D:xy P:y D:xy P:y P:z S D:xy P:z D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 0.156 -4.411 0.156 -4.411 -10.027 -4.411 -10.027 -10.027 -26.921 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.00 0.80 0.00 0.80 1.33 0.80 1.33 1.33 2.00 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">20 10 10 20 12 7 19 9 53 80 84 89 19 20 9 10 9 84 19 89 96 73 12 48 7 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O O O W W W W W 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">2.302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">673</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.88 5.06 3.42 2.81 2.61 2.58 2.51 2.46 2.42 2.36 2.36 2.10 1.76 1.75 1.75 -1.52 1.42 1.41 1.40 1.35 1.33 1.22 1.11 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 3 2 3 1 1 1 1 1 3 1 3 1 3 1 2 2 2 2 2 1 2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S D:xz D:x2-y2 D:xz D:yz D:yz S D:x2-y2 S D:xz S D:xz P:x S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.732 1.164 -5.732 1.164 -4.411 -4.411 -4.411 -4.411 -4.411 1.722 -4.411 1.722 -4.411 1.164 -4.411 -0.512 -6.402 -6.402 -6.402 -6.402 -6.581 -6.402 -6.402 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 0.00 2.00 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.00 0.80 0.00 2.00 2.00 2.00 2.00 1.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">101 101 103 100 4 1 17 7 12 16 14 3 3 103 16 103 19 12 9 7 107 10 8 8 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Tc Tc Tc Tc W W W W W W W W W Tc W Tc W W W W H W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">674</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">11.25 10.92 6.75 6.72 5.78 5.69 4.25 4.16 3.73 3.42 2.91 2.89 2.82 2.68 2.51 2.50 2.47 2.34 2.25 2.15 1.80 1.70 1.66 1.64 1.57 1.55 1.53 1.51 -1.16 -1.15 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 3 2 3 3 3 3 2 2 3 3 3 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 0.156 0.156 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">1 14 6 11 1 14 11 6 13 8 17 4 3 16 20 15 2 13 10 8 3 4 20 5 18 10 17 16 1 14 14</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 W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.402</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">675</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.71 12.68 4.28 4.13 3.72 2.18 2.16 2.02 1.91 1.91 1.82 1.26 1.24 1.19 1.19 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xz D:xz D:yz D:yz P:y D:yz D:yz P:y D:x2-y2 D:x2-y2 P:y D:yz D:yz D:yz D:xz D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.00 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 11 13 8 86 19 9 85 13 8 93 102 7 12 19 9 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W W O W W O W W O Tc W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.461</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">676</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.71 4.61 4.34 4.28 4.25 4.23 4.00 3.94 3.01 2.96 2.86 2.86 2.49 2.44 2.14 2.09 2.07 1.97 1.89 1.87 1.83 1.82 1.57 1.50 1.32 1.14 1.13 1.05 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 2 3 2 2 2 2 2 1 1 3 3 2 2 3 3 2 2 1 1 3 3 1 1 3 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S D:yz D:yz S S S S S S S S D:xz D:xz S S P:y D:yz S D:x2-y2 S D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 -6.402 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -10.027 -6.750 1.722 -4.411 1.722 -4.411 -4.411</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 0.80 0.80 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 1.33 1.00 0.00 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">19 9 15 2 2 15 6 11 20 10 2 15 9 19 14 1 11 6 16 3 16 3 10 20 28 100 1 1 14 14 3</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 W W O Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">677</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.22 6.20 5.68 5.63 4.35 4.24 4.02 3.29 3.20 3.08 2.94 2.59 2.52 2.08 2.02 1.78 1.77 1.71 1.67 1.59 1.59 1.30 1.27 1.26 1.23 1.21 1.20 1.19 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 1 1 3 3 2 2 2 3 3 2 2 2 2 3 2 3 2 1 1 2 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:yz D:yz S S P:y S S S S S S S S S S S S D:yz D:yz S S D:xz P:z D:xz P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.402 -6.402 -4.411 -4.411 1.722 1.722 -5.665 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 -6.402 1.722 -6.402 -6.750 -6.750 -6.402 -6.402 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 2.00 0.80 0.80 0.00 0.00 1.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 1.00 1.00 2.00 2.00 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">7 12 5 18 4 17 104 8 13 12 7 17 4 11 6 13 18 8 5 101 100 1 14 18 71 5 26 49 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W P W W W W W W W W W W W W Tc Tc W 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">2.542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">678</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.03 4.87 4.37 4.31 4.23 4.14 4.07 3.53 3.17 2.64 2.23 2.21 2.19 2.04 1.76 1.75 1.54 1.25 1.15 1.14 1.13 1.11 1.10 1.06 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 2 3 2 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S S D:xz P:x P:x P:x P:x S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -5.732 1.164 4.546 -10.027 -10.027 -10.027 -10.027 -5.732 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.00 0.00 1.33 1.33 1.33 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">18 5 2 15 18 5 2 15 3 16 17 4 16 3 4 17 100 100 101 41 98 36 45 101 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W Tc Tc Tc O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.544</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">679</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.55 7.07 6.99 6.93 5.78 5.47 5.41 5.21 3.38 3.03 2.53 2.34 2.34 2.32 1.92 1.68 1.17 1.15 1.14 1.13 1.10 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 3 2 3 1 2 2 1 3 3 2 2 2 2 1 1 3 3 1 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S D:yz S S D:yz S S S S S S D:yz P:y S S D:xz S P:y S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.402 1.722 -6.402 1.722 -4.411 -6.402 -6.402 -4.411 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.750 -10.027 1.722 1.722 -4.411 1.722 -10.027 1.722 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 0.00 2.00 0.00 0.80 2.00 2.00 0.80 0.00 0.00 2.00 2.00 2.00 2.00 1.00 1.33 0.00 0.00 0.80 0.00 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">19 16 9 3 2 16 3 15 19 9 10 20 11 6 100 28 10 20 16 6 69 11 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W Tc 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">2.588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">680</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.16 8.14 7.35 7.18 6.20 6.04 2.91 2.57 2.53 2.35 2.34 2.29 2.28 1.75 1.72 1.58 1.31 1.17 1.16 1.11 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 2 3 3 2 2 2 3 3 1 1 1 1 2 2 1 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S P:y S S D:xz D:yz D:xz D:yz S S D:yz P:y D:yz S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 -5.665 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -6.750 -10.027 -6.750 -6.402 -6.402 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 0.00 0.00 2.00 2.00 1.00 0.00 0.00 0.80 0.80 0.80 0.80 2.00 2.00 1.00 1.33 1.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">18 5 18 5 12 7 104 7 12 17 5 4 18 13 8 101 26 100 6 11 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W P W W W W W W W W Tc O Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">681</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.65 5.34 5.27 4.83 4.75 4.17 4.09 3.48 2.06 1.85 1.82 1.46 1.41 1.28 1.26 1.22 1.16 1.15 1.12 1.11 1.10 1.08 1.04 1.03 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 1 1 1 1 1 1 3 1 1 1 1 2 1 1 1 3 3 1 1 1 1 1 4 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz S D:x2-y2 P:y P:y S S D:xy D:xy D:x2-y2 S S P:z P:z D:z2 D:z2 P:z S P:z P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.164 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -6.750 -10.027 -10.027 -6.581 -15.731 -4.411 -4.411 -6.750 1.722 1.722 -10.027 -10.027 -4.411 -4.411 -10.027 12.074 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.00 1.33 1.33 1.00 2.00 0.80 0.80 1.00 0.00 0.00 1.33 1.33 0.80 0.80 1.33 0.00 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">102 6 11 8 13 9 19 103 103 63 58 107 105 8 13 102 9 19 56 81 6 11 88 102 78 51 95 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc W W W W W W Tc Tc O O H P W W Tc W W O O W W O Tc O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">682</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.68 4.62 4.31 4.29 3.41 3.39 2.65 2.19 2.18 2.04 1.98 1.79 1.76 1.54 1.51 1.35 1.33 1.27 1.26 1.13 1.11 1.11 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 3 3 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:yz D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 S S P:y P:y P:z D:z2 P:z D:z2 P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.722 1.722 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -5.665 -6.750</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 0.80 0.80 0.80 0.80 0.00 0.00 1.33 1.33 1.33 0.80 1.33 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">19 9 13 8 11 6 102 12 7 20 10 20 10 7 12 19 9 58 63 81 6 56 11 105 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W Tc W W W W W W W W W W O O O W O W P Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">683</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.64 4.96 4.95 4.95 4.33 4.32 3.59 2.91 2.87 2.74 2.72 2.65 2.54 2.50 2.15 2.13 1.76 1.64 1.64 1.39 -1.29 1.20 1.20 1.15 1.14 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 1 1 3 3 3 1 1 1 1 1 1 1 1 1 2 1 1 2 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S P:z D:x2-y2 D:x2-y2 S S S D:yz D:yz D:x2-y2 D:x2-y2 S P:y P:y D:yz D:yz S D:x2-y2 D:x2-y2 P:x S P:y P:y P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.732 -5.665 -4.411 -4.411 1.722 1.722 1.164 -4.411 -4.411 -4.411 -4.411 -6.581 -10.027 -10.027 -4.411 -4.411 -5.732 -4.411 -4.411 -5.665 1.164 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 1.00 0.80 0.80 0.00 0.00 0.00 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 2.00 0.80 0.80 1.00 0.00 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">103 104 1 14 14 1 103 16 3 4 17 107 47 70 17 4 100 16 3 104 100 62 29 33 66 1 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc P W W W W Tc W W W W H O O W W Tc W W P Tc O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">684</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.51 6.91 5.34 4.75 4.72 3.09 3.08 3.04 3.03 2.83 2.49 2.07 2.07 1.94 1.90 1.88 1.78 1.68 1.67 1.62 1.61 -1.57 1.51 -1.30 -1.29 1.15 -1.09 1.04 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 1 2 1 1 3 3 3 3 2 3 1 1 3 1 1 2 1 1 1 1 2 1 2 2 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x S S D:xz D:xz S S S S S S D:x2-y2 D:x2-y2 S D:xz D:xz S D:xz D:xz D:x2-y2 D:x2-y2 D:xz S S S D:xz P:z D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.665 -6.581 -5.732 -4.411 -4.411 1.722 1.722 1.722 1.722 -5.732 1.164 -4.411 -4.411 1.164 -4.411 -4.411 3.073 -4.411 -4.411 -4.411 -4.411 4.546 -6.581 -6.402 -6.402 4.546 10.785 11.931 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 1.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.00 1.00 2.00 2.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">104 107 100 1 14 18 5 15 2 102 102 2 15 100 4 17 107 3 16 5 18 102 106 2 15 101 21 104 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">P H Tc W W W W W W Tc Tc W W Tc W W H W W W W Tc H W W Tc O P Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.710</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="2">94.40 2.75</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="2">1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="2">S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="2"
                               units="nonsi:electronvolt">-26.921 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="2">2.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="2">39 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="2">O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-16.768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">324</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">11.94 9.11 9.07 8.60 7.96 7.88 5.30 4.55 4.50 4.50 4.42 4.27 4.23 4.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 2 3 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:y P:y S S P:x P:z S S S P:z P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -15.731 3.851 -10.027 -10.027 -26.921 -26.921 -26.921 -10.027 -10.027 -10.027 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 2.00 0.00 1.33 1.33 2.00 2.00 2.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">40 52 46 104 104 38 38 38 46 52 40 46 52 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O P P O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-16.442</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.68 10.17 9.09 9.02 8.60 8.09 4.74 4.62 4.49 4.49 4.32 4.26 4.25 4.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 3 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:x P:y P:y S S P:z S S S P:z S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -15.731 3.851 -10.027 -26.921 -26.921 -26.921 -10.027 -26.921 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 2.00 0.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">96 23 72 90 105 105 23 23 90 72 90 96 72 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P P O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.470</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="13">26.99 8.21 7.25 7.19 7.11 4.81 3.52 3.30 3.24 2.91 2.30 1.54 1.44</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 2 2 1 1 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:z P:z P:y P:y P:x P:z P:x P:x P:x S P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -5.665 -5.665 -10.027 -10.027 2.733 -26.921 2.733 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 0.00 2.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">40 40 38 52 46 104 104 46 52 104 40 104 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O P P O O P O P Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">327</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">14.46 14.39 9.82 9.47 9.02 6.29 6.29 3.21 1.89 1.86 1.40 1.38 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">46 52 52 46 104 38 40 104 52 46 14 1 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.343</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="15">21.02 11.48 9.10 8.76 5.74 5.27 3.11 2.86 2.58 2.53 2.28 1.66 1.65 1.34 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 2 2 1 1 1 3 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:z P:y P:y P:z P:z P:x S P:x P:x P:z P:x P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -5.665 -5.665 -26.921 -10.027 -10.027 2.733 2.733 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.00 1.00 2.00 1.33 1.33 0.00 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">38 38 46 52 40 104 104 38 52 46 104 104 26 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O P P O O O P P O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.067</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="15">21.70 13.43 10.02 5.77 4.39 4.35 4.32 4.26 3.44 2.74 2.22 1.30 1.21 1.20 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 2 1 1 1 1 3 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:z P:z P:x P:x P:y P:x P:y P:x S P:z P:z D:yz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 -10.027 2.733 -26.921 -5.665 -10.027 -4.411 -4.411 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.00 2.00 1.00 1.33 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">23 23 96 105 72 90 90 72 105 23 105 85 12 7 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O P O O O O P O P O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.056</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="13">26.36 11.80 11.66 6.80 4.22 3.28 3.21 2.94 2.16 2.10 1.73 1.67 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 2 1 1 1 3 1 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y P:y P:z P:z P:z P:x P:z S P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -5.665 -10.027 -10.027 -10.027 2.733 -26.921 -5.665 -10.027 -10.027 2.733</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.00 2.00 1.00 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">96 72 90 105 96 23 23 105 96 105 90 72 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O P O O O P O P O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.001</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="14">14.64 14.51 10.04 9.93 8.96 6.31 5.60 3.31 1.88 1.87 1.34 1.33 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 3 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:y P:y P:y P:y P:y P:y S S D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -5.665 -10.027 -10.027 2.733 -26.921 -26.921 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.00 2.00 2.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">90 72 72 90 105 23 96 105 90 72 6 11 74 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O P O O P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.871</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="32">7.35 5.76 5.75 4.01 3.99 3.67 3.54 3.25 2.69 2.68 2.32 2.31 2.27 2.24 2.24 2.24 1.95 1.91 1.57 1.56 1.55 1.55 1.47 1.46 1.43 1.41 1.30 1.29 1.09 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y D:xz D:xz P:z P:z P:y P:y P:y P:z P:z P:z P:z P:x P:x D:yz D:yz P:y P:y P:z P:z D:xz D:xz P:x P:x P:x P:x D:yz D:yz P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">26 1 14 34 67 30 28 37 32 65 66 33 34 67 18 5 67 34 62 29 1 14 65 32 66 33 2 15 32 65 29 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W W O O O O O O O O O O O W W O O O O W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.793</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="34">7.53 5.51 4.89 3.60 3.59 3.48 3.47 3.09 3.08 2.97 1.95 1.95 1.95 1.95 1.88 1.87 1.87 1.85 1.60 1.58 1.58 1.56 1.55 1.55 1.54 1.54 1.50 1.48 1.42 1.39 1.39 1.38 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y D:x2-y2 P:z P:z D:x2-y2 P:x P:y P:y P:x P:x P:y P:x D:yz D:yz P:y D:yz D:yz D:x2-y2 D:x2-y2 P:x P:x P:y P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">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 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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">30 26 28 32 65 62 29 34 67 37 1 66 33 14 65 32 65 32 29 67 62 2 15 34 18 5 3 16 34 67 62 29 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O W O O W O O O O O O O W W O W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.382</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="24">13.35 13.28 3.43 3.40 2.46 2.43 2.25 2.22 2.22 2.22 2.12 2.10 1.64 1.63 1.62 1.60 -1.12 1.11 1.10 1.10 1.09 1.09 1.08 -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 2 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z P:z P:z P:z P:z S P:y P:y P:y P:y D:xz D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -5.732 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.33 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">60 25 27 61 45 41 18 2 15 5 98 36 43 54 35 97 101 36 98 45 41 18 5 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W W W O O O O O O Tc O O O O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">335</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">6.06 5.99 5.82 5.05 3.71 3.67 3.64 2.52 2.50 2.50 2.50 2.47 2.21 2.16 2.08 2.07 1.97 1.96 1.79 1.75 1.57 1.57 1.54 1.52 1.40 1.37 1.27 1.26 1.13 1.13 1.13 1.08 1.08 1.07 1.06 1.05 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:xz D:xz P:y P:y P:z P:y P:z P:y P:z P:z P:z P:z P:x P:x P:z P:z D:yz D:yz P:y P:y P:x P:x D:xz D:xz P:x P:x P:x P:x P:y P:y P:y D:x2-y2 P:y D:x2-y2 D:yz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">6 11 85 93 94 86 87 73 99 53 77 80 94 87 79 24 7 12 87 94 77 99 6 11 24 79 80 53 99 24 79 9 77 19 10 20 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W O O O O O O O O O O O O O O W W O O O O W W O O O O O O O W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.300</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="26">12.16 12.08 4.53 4.51 4.05 2.84 2.59 2.58 2.05 2.05 1.96 1.96 1.96 1.94 1.72 1.71 1.67 1.65 1.21 1.21 1.15 1.15 1.10 1.08 1.07 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:x P:x P:x D:yz D:yz P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 D:x2-y2 D:xz D:xz P:y P:y P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.00 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 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">25 60 61 27 101 100 41 45 35 97 36 98 5 18 54 43 2 15 3 16 41 45 41 45 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O Tc Tc O O O O O O W W O O W W W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.299</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="38">8.62 4.56 3.71 3.67 3.65 3.11 2.94 2.93 2.90 2.90 2.19 2.18 1.97 1.95 1.82 1.79 1.66 1.66 1.64 1.61 1.60 1.60 1.59 1.59 1.58 1.58 1.56 1.55 1.43 1.42 1.35 1.32 1.25 1.25 1.14 1.14 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:y P:z P:z P:y P:z P:z P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:x P:x P:y P:y P:x P:y P:x P:y D:yz D:yz D:yz D:yz P:x P:x D:yz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">93 85 86 79 24 73 94 53 80 87 99 77 6 11 24 79 24 79 9 19 80 94 53 80 53 87 87 94 7 12 19 9 77 99 10 20 99 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O W W O O O O W W O O O O O O O O W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.153</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="30">8.00 7.98 4.32 4.30 4.04 4.02 3.07 3.06 3.04 3.04 2.36 2.34 2.06 2.01 1.94 1.93 1.82 1.81 1.73 1.70 1.67 1.66 1.54 1.53 1.38 1.38 1.32 1.30 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 2 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:x P:z P:z P:x P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x D:xz D:xz P:x P:x P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 14 34 67 32 65 34 66 33 67 65 32 67 34 62 29 32 65 66 33 1 14 29 62 61 27 33 66 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.059</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="25">4.88 4.84 4.37 4.36 3.93 3.92 3.80 3.78 3.62 3.60 3.27 3.27 2.53 2.48 1.91 1.89 1.37 1.35 1.35 1.35 1.28 1.26 1.22 1.21 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:y P:y P:x P:x P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">32 65 62 29 1 14 34 67 66 33 32 65 67 34 65 32 34 62 29 67 29 62 33 40 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O W W O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.955</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="21">20.25 12.24 3.57 3.53 3.39 3.38 2.81 2.79 1.99 1.96 1.85 1.84 1.74 1.74 1.64 1.64 1.26 1.25 1.15 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:y P:y D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 P:z P:z P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">30 28 3 16 32 65 2 15 16 3 15 2 62 29 60 25 65 32 61 27 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W W O O W W W W W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.58 7.01 6.76 6.16 3.33 3.03 2.42 2.41 2.24 2.23 2.12 2.09 1.93 1.87 1.66 1.65 1.54 1.52 1.48 1.41 1.39 1.36 1.29 1.28 1.26 1.23 1.20 1.19 1.12 -1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z D:xz P:y D:xz P:y D:x2-y2 D:xz D:x2-y2 D:xz P:z P:y P:z D:x2-y2 P:y P:y D:x2-y2 P:x D:x2-y2 P:y P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -6.750 -10.027 -10.027 -5.732</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 0.80 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 1.00 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">91 75 76 74 95 51 81 57 56 82 19 95 9 51 7 13 12 8 59 57 83 10 82 81 20 95 103 56 51 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W O W O W W W W O O O W O O W O Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.900</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="20">20.77 12.71 3.39 3.07 3.07 2.91 2.89 2.35 2.35 2.30 2.29 2.28 2.25 2.09 2.05 2.05 1.41 1.40 1.11 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:y P:y P:y D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz P:z P:x P:z P:x P:y P:y P:y P:z P:z D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">37 26 30 4 17 17 4 5 18 34 66 67 33 33 66 28 66 33 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W W W W W W O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.888</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="20">8.29 8.15 6.17 6.05 2.49 2.48 2.45 2.44 2.31 2.27 2.27 2.21 2.18 2.07 1.99 1.99 1.98 1.47 1.28 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:x P:x P:z P:z P:z P:z D:xz P:y D:xz D:xz D:xz P:y P:y P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">27 61 60 25 43 35 54 97 4 37 17 3 16 40 26 46 52 38 28 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W 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">-12.867</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="17">10.61 10.44 8.50 8.37 2.23 2.22 2.20 2.18 2.15 2.12 2.08 2.05 1.61 1.29 1.25 1.24 1.23</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:x P:x P:z D:xz P:z D:xz D:xz D:xz P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">61 27 25 60 54 17 43 4 16 3 97 35 22 97 35 54 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O W 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">-12.813</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="26">8.42 7.77 6.01 5.42 5.26 4.01 3.72 3.15 2.99 2.71 2.38 2.20 2.01 1.97 1.84 1.79 1.61 1.49 1.49 1.42 1.22 1.21 1.10 1.08 1.07 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:x D:yz P:z P:z D:yz P:z P:z D:xz D:xz D:xz P:z D:xz P:z P:x P:y P:x P:y D:x2-y2 P:z D:x2-y2 P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 0.80 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">74 76 75 91 103 51 95 102 56 81 9 19 8 82 13 57 51 51 95 95 12 83 7 59 82 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O Tc O O Tc O O W W W 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">-12.674</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">8.13 8.12 4.80 4.79 3.68 3.61 3.18 3.16 3.15 3.14 2.46 2.37 2.14 2.09 1.91 1.88 1.88 1.85 1.60 1.59 1.56 1.55 1.53 1.50 1.41 1.41 1.12 1.10 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz P:z P:z P:z P:z P:z P:x P:z P:x P:y P:y P:x P:x P:z P:z P:x P:x D:xz D:xz P:x P:x P:y P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 4.727 4.727 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">11 6 94 87 77 99 53 94 80 87 87 94 77 99 79 24 80 53 11 6 24 79 99 77 53 80 74 76 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W O O O O O O O O O O O O O O O O W W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.625</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="34">8.35 3.48 2.98 2.66 2.65 2.59 2.57 2.28 2.04 1.98 1.97 1.97 1.96 1.68 1.52 1.52 1.37 1.37 1.37 1.36 1.34 1.25 1.25 1.24 1.24 1.18 1.17 1.10 1.08 1.08 1.08 1.07 1.05 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:z P:x P:z P:z P:z P:z P:x P:z D:z2 P:z D:z2 P:z D:z2 P:z P:x P:x P:y D:xz D:xz P:y S D:z2 D:xz D:z2 D:xz P:x P:x D:x2-y2 P:z P:y P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.581 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 0.80 0.80 0.80 0.80 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="34">40 22 22 25 60 38 40 28 100 32 1 65 14 26 67 34 43 18 5 54 106 2 2 15 15 32 65 100 29 45 62 41 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O Tc O W O W O O O O W W O H W W W W 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">-12.612</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="27">4.77 4.73 4.40 4.34 3.90 3.89 3.17 3.13 3.03 3.02 2.90 2.88 2.20 2.14 1.79 1.76 1.71 1.70 1.43 1.41 1.24 1.21 1.19 1.16 1.14 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y P:x P:x P:x P:y P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">79 24 53 80 6 11 77 99 80 53 94 87 87 94 80 53 79 24 24 79 96 99 77 94 87 90 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W W O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">349</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.13 4.17 4.16 3.94 3.14 2.89 2.87 2.68 2.60 2.60 2.57 2.38 2.26 2.25 2.21 2.21 2.17 2.17 1.92 1.92 1.65 1.52 1.51 1.45</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:x D:xy D:xy P:x P:x D:xy D:xy P:z P:x P:x P:x P:x D:z2 D:z2 P:x P:x D:x2-y2 P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">40 25 60 38 28 2 15 22 26 18 5 22 29 62 33 66 14 1 65 32 100 34 67 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W O O W W O O O O O W W O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.574</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="24">11.55 8.86 7.87 7.87 2.94 2.93 2.78 2.42 2.41 2.30 2.30 -2.15 1.72 1.71 1.65 1.64 1.32 1.31 1.11 1.11 1.07 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:yz P:y P:y P:y P:y P:y P:y P:y P:z P:z D:xz D:xz P:y P:y P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 11.931 -10.027 -10.027 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 0.156 0.156 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 0.80 0.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">40 38 46 52 1 14 104 65 32 47 70 104 34 67 60 25 18 5 1 14 44 69 2 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W W P O O O O P O O O O W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.445</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="23">13.85 13.82 2.49 2.48 2.26 2.26 2.01 2.01 1.99 1.96 1.49 1.47 1.42 1.33 1.33 -1.32 1.28 1.28 1.25 1.24 1.17 1.13 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 3 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:x P:x P:x P:x P:z P:z P:y P:y D:x2-y2 P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931</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 0.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">52 46 32 65 67 34 27 61 46 52 104 30 37 31 64 104 68 42 65 32 37 30 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O P O O O O P O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.436</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="26">5.78 5.38 4.78 4.37 4.17 3.62 3.29 2.63 2.53 2.03 1.98 1.97 1.93 1.93 1.89 1.78 1.77 1.75 1.69 1.62 1.50 1.43 1.43 1.35 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:y P:y P:x P:x P:x P:z D:yz P:y P:z P:z P:x P:z P:z D:yz P:z D:yz D:yz D:xy P:z P:x D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 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 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="26">86 93 85 23 73 90 72 91 53 7 96 80 94 76 87 99 12 77 10 20 6 79 75 11 74 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O O O O O O W 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">-12.431</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="15">25.03 5.78 5.51 4.64 3.61 3.44 2.82 2.82 2.52 2.30 1.66 1.50 1.38 1.38 1.36</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z S P:x P:x P:x P:x P:x P:z D:x2-y2 S D:z2 P:x P:z P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-10.027 -6.581 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -26.921 -6.750 -10.027 -10.027 -10.027 3.073</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 2.00 1.00 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">21 107 75 91 21 74 76 96 102 21 102 81 80 56 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O H O O O O O O Tc O Tc O O O H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">354</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">16.11 9.69 6.57 5.18 3.67 3.60 2.31 2.30 1.72 1.67 1.63 1.63 1.61 1.58 1.52 1.51 1.28 1.27 1.20 1.20 1.18 1.18 1.10 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 D:yz D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x P:y P:y D:yz D:yz P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">93 73 86 85 53 80 10 20 9 19 20 10 19 9 80 53 80 53 7 12 75 91 94 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W W W W W W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.385</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="28">9.45 8.41 7.49 7.48 2.79 2.66 2.65 2.64 2.36 2.10 2.09 2.09 2.08 1.95 1.94 1.83 1.82 1.49 1.49 1.47 1.46 1.31 1.30 1.19 1.19 1.17 1.17 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:x P:x P:y P:y P:y P:y D:xy D:xy P:x P:x D:xy P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 0.00 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">40 38 52 46 30 34 67 37 104 1 25 60 14 66 33 32 65 61 27 29 62 54 43 70 47 98 36 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O P W O O W O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.377</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="22">9.35 8.12 8.09 4.33 3.64 3.62 2.72 2.66 2.26 2.25 1.54 1.53 1.49 1.49 1.34 1.34 1.32 1.30 1.27 1.26 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:x P:y P:x P:x D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz P:z P:z P:z P:z D:x2-y2 D:x2-y2 P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">86 75 91 85 74 76 12 7 8 13 13 8 82 57 56 81 10 20 99 77 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W W W W W W O O O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.300</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="16">20.82 12.56 6.76 5.69 3.84 2.95 2.23 2.22 2.09 1.93 1.63 1.52 1.52 1.41 1.41 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">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="16">P:z P:x S P:x P:z S P:x P:x D:xz P:z S P:y P:y D:xy D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.581 -10.027 -10.027 -26.921 -10.027 -10.027 -6.750 -10.027 3.073 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.00 1.33 1.33 2.00 1.33 1.33 1.00 1.33 0.00 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">22 22 106 38 38 22 52 46 100 40 106 60 25 18 5 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O H O O O O O Tc O H O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.298</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="24">9.90 7.29 6.98 3.49 3.31 2.73 2.53 2.39 1.99 1.96 1.90 1.81 1.53 1.50 1.49 1.47 1.32 1.32 1.22 1.22 1.20 1.20 1.19 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:x P:x P:x P:x P:z S P:x P:y P:y P:x D:z2 D:xz P:z D:xz D:x2-y2 P:z P:z P:y P:y D:xz D:x2-y2 D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.581 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 0.80 1.33 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">21 75 91 74 76 23 107 21 95 51 96 102 9 96 19 102 77 99 59 83 20 20 10 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O H O O O O Tc W O W Tc O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.225</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="37">5.73 3.54 3.51 2.83 2.81 2.24 2.22 2.14 2.12 1.93 1.92 1.91 1.64 1.64 1.64 1.63 1.54 1.45 1.44 1.40 1.40 1.40 1.39 1.28 1.27 1.26 1.24 1.23 1.22 1.14 1.12 1.11 1.10 1.10 1.09 1.03 1.02</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 D:z2 P:x P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:z P:z P:z P:y P:y P:y D:xy D:xy P:y S P:z P:z D:z2 P:z D:z2 D:z2 P:x D:xz D:xz P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.581 -10.027 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.33 1.33 0.80 1.33 0.80 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">21 6 11 99 77 24 79 94 87 85 56 81 53 80 72 90 86 51 95 75 12 7 91 107 76 74 19 93 9 103 21 8 13 82 57 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O W W O O O O O O O O O O O O O O O O O W W O H O O W O W Tc O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.213</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">9.29 9.28 8.96 4.96 4.05 3.07 2.83 2.82 2.59 2.59 2.46 1.83 -1.71 1.48 1.47 1.29 1.17 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 3 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:z P:x P:x P:x D:xy D:xy P:x P:x S D:xz P:x D:z2 D:z2 S P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.581 11.931 2.733 -4.411 -4.411 -26.921 -10.027 -10.027 -10.027 -10.027 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 0.00 0.00 0.80 0.80 2.00 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">46 52 22 40 22 38 1 14 54 43 106 104 104 4 17 22 47 70 42 68 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W W O O H P P W W O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.156</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="34">4.77 4.75 3.92 3.91 3.86 3.86 2.53 2.53 2.34 2.34 2.04 2.03 2.02 2.02 1.79 1.79 1.65 1.65 1.61 1.60 1.19 1.19 1.15 1.15 1.12 1.12 1.08 1.07 1.07 1.05 1.05 1.04 1.03 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:z2 D:z2 P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x D:z2 D:z2 P:z P:z D:z2 D:z2 P:z P:z P:x P:x D:yz P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 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="34">1 14 34 67 32 65 66 33 25 60 29 62 32 65 67 34 33 66 29 62 16 3 45 41 18 5 98 36 35 97 101 60 25 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W O O O O O O O O O O O O O O O O O O W W O O W W O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.147</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="19">10.64 10.26 8.03 7.98 2.88 2.86 2.80 2.78 2.76 -2.25 2.02 2.00 1.59 1.59 1.33 1.20 1.19 1.13 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:yz P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 11.931 -10.027 -10.027 2.733 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 0.156 0.156</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 0.80 0.80 0.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">23 96 90 72 6 11 105 63 58 105 94 87 80 53 86 91 75 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O W W P O O P O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.088</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="26">6.05 5.05 4.85 4.84 3.64 3.59 2.98 2.95 2.77 2.67 2.66 2.54 2.53 2.41 2.28 2.27 1.74 1.72 1.65 1.64 1.41 1.39 1.25 1.24 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">P:x P:x P:y P:y D:xy D:xy D:xy D:xy P:x P:y P:y P:y P:y P:x P:z P:z P:y P:y P:x P:x P:x P:x P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">30 37 27 61 3 16 17 4 26 54 43 97 35 28 25 60 60 25 33 66 62 29 34 67 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W W W O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.072</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">364</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.59 8.55 7.98 7.52 3.58 2.46 -2.17 1.85 1.83 1.45 1.45 1.41 1.40 1.38 1.35 1.34 1.24 1.14 1.13 1.13 1.11 1.06 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:z P:z D:x2-y2 P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z P:z D:xz P:z P:z D:xz D:yz D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 11.931 2.733 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">72 90 96 23 21 105 105 75 91 53 80 87 94 85 74 76 73 12 92 48 7 20 6 11 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O P P O O O O O O O O O O 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">-12.057</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="31">6.99 4.25 4.24 4.20 3.82 2.60 2.26 2.23 2.18 2.15 1.99 1.85 1.83 1.83 1.77 1.61 1.61 1.39 1.38 1.34 1.34 1.32 1.29 1.12 1.04 1.02 1.02 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:z P:z P:z P:z P:z P:y P:y P:y P:y D:x2-y2 D:z2 D:xy D:xy P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x D:xy P:z P:x P:x D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 11.931 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">23 23 72 90 96 21 90 72 91 75 103 105 12 7 85 94 87 57 82 80 53 72 90 73 10 87 86 95 20 93 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O Tc P W W 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">-11.990</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">6.81 6.53 6.45 6.43 5.87 5.81 2.47 2.44 2.24 2.24 2.08 2.06 1.96 1.95 1.74 1.72 1.70 1.68 1.32 1.31 1.23 1.20 1.20 1.20 1.06 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:yz P:z P:z D:yz P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x D:xz D:xz P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 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 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">101 43 54 100 35 97 97 35 43 54 45 41 36 98 45 41 98 36 54 43 41 45 4 17 35 97 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc O O Tc O O O O O O O O O O O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.975</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="29">8.44 7.35 7.35 6.51 3.81 3.44 3.36 3.33 2.34 2.33 2.27 2.26 2.14 2.12 2.10 1.94 1.93 1.83 1.82 1.69 1.60 1.59 1.30 1.30 1.28 1.25 1.24 1.12 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:y P:x P:x P:y P:y P:y P:x P:x P:y P:y P:y P:y D:xy P:x P:x P:y P:y D:xy D:xy P:y P:y P:y P:x P:x P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">96 90 72 23 93 86 75 91 53 80 99 77 105 74 76 94 87 6 11 85 24 79 56 81 73 63 58 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O P O O O O W W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.937</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="26">5.34 5.32 4.16 4.15 3.54 3.53 3.31 2.87 2.85 2.32 2.32 2.05 2.05 1.72 1.71 1.36 1.36 1.36 1.32 1.31 1.30 1.29 1.25 1.24 1.19 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z D:z2 D:z2 P:y P:y P:y P:y P:y P:y P:x P:x D:x2-y2 D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027</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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">97 35 54 43 41 45 26 54 43 36 98 5 18 34 67 97 49 71 35 35 97 101 1 14 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O W W O O O O O O O O Tc W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.892</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="22">10.06 10.05 8.35 7.96 2.65 2.64 2.47 2.09 -1.65 1.63 1.60 1.47 1.35 1.34 1.25 1.22 1.22 1.16 1.15 1.11 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:x P:z D:xy D:xy P:x D:xz P:x P:x P:x S P:x P:x P:x P:z P:z P:x P:x D:z2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 11.931 2.733 -10.027 -10.027 -6.581 -10.027 -10.027 -0.512 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.00 0.00 1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">72 90 96 21 6 11 23 105 105 95 51 107 59 83 102 53 80 63 58 8 13 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W W O P P O O H O 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">-11.848</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="37">5.08 4.14 3.33 2.88 2.85 2.41 2.39 2.28 2.28 2.23 2.23 2.13 2.12 1.74 1.74 1.67 1.64 1.64 1.53 1.53 1.52 1.50 1.49 1.48 1.40 1.39 1.36 1.29 1.29 1.09 1.09 1.08 1.07 1.04 1.04 1.02 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:z P:z D:yz D:yz P:z P:z P:y P:y P:y P:y D:xy D:xy P:z P:z D:x2-y2 P:y P:y P:x P:x D:yz D:yz P:x P:x P:y P:y P:z D:z2 D:z2 D:z2 D:z2 P:y P:y D:x2-y2 D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">37 26 30 4 17 54 43 41 45 97 35 1 14 36 98 100 66 33 47 70 3 16 43 54 34 67 28 2 15 5 18 71 49 18 5 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O W W O O O O O O W W O O Tc O O O O W W O O O O O W W W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.808</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="27">7.46 4.01 3.71 3.70 2.59 2.58 2.24 2.23 2.12 2.11 2.01 2.00 1.97 1.96 1.75 1.74 1.62 1.62 1.56 1.53 1.31 1.31 1.13 1.10 1.08 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z D:yz D:yz P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y D:yz D:yz P:z P:z D:x2-y2 D:x2-y2 P:y P:y D:xy D:xy P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">30 28 3 16 36 98 97 35 32 65 97 35 62 29 1 14 70 47 2 15 25 60 15 2 26 64 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W W O O O O O O O O O O W W O O W W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">372</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.99 4.95 4.04 4.01 3.86 3.81 3.12 3.12 2.56 2.54 2.12 2.06 2.06 1.97 1.81 1.77 1.76 1.73 1.68 1.67 1.22 1.22 1.17 1.13 1.13 1.12 1.12 1.10 1.09 1.08 1.08 1.07 1.06 1.06 1.05 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">D:z2 D:z2 P:x P:x P:x P:x P:z P:z P:z P:z P:x P:z P:x P:z P:z P:z P:z P:x P:z P:x D:z2 D:z2 P:z D:x2-y2 D:x2-y2 P:z P:z P:y D:z2 P:x D:z2 D:yz P:x P:z D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.00 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">6 11 94 87 53 80 77 99 24 79 79 91 24 75 53 80 94 77 87 99 19 9 59 6 11 57 83 95 13 51 8 102 95 82 103 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W O O O O O O O O O O O O O O O O O O W W O W W O O O W O W Tc O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.716</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="28">4.21 3.97 3.93 3.61 3.56 3.56 3.25 2.87 2.85 2.52 2.51 2.47 2.43 2.39 1.95 1.89 1.88 1.81 1.68 1.65 1.54 1.53 1.41 1.39 1.39 1.38 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:y P:y P:y P:x P:x P:y P:y P:y P:x D:xy P:y D:xy P:z P:z D:xy D:xy D:xy D:xy P:z P:z D:xy P:z P:z D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 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="28">93 95 51 74 76 85 86 81 56 75 73 9 91 19 75 91 12 7 8 13 82 57 20 59 83 10 87 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O W O W O O W W W W 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">-11.600</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="25">7.82 6.91 6.77 6.69 6.56 5.76 2.57 2.37 2.19 2.16 2.06 1.82 1.67 1.57 1.54 1.51 1.35 1.33 1.31 1.29 1.27 1.10 1.09 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:z D:yz P:z D:yz P:z P:y P:y P:y P:y P:y P:y P:y P:z P:y D:xz D:xz P:x P:z P:z P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="25">81 95 102 56 103 51 81 95 51 56 59 57 83 59 82 13 8 95 83 57 81 51 57 56 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O Tc O Tc O O O O O O O O O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.588</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="35">3.24 3.24 2.87 2.87 2.49 2.48 2.32 2.31 2.18 2.17 2.17 2.16 1.94 1.86 1.85 1.84 1.84 1.68 1.68 1.51 1.51 1.51 1.51 1.49 1.49 1.44 1.43 1.40 1.39 1.36 1.36 1.05 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:y P:y D:yz D:yz P:z P:z P:z P:z D:xy D:xy D:xy D:xy P:y P:y P:z P:y P:z P:z P:z D:xz P:y D:xz P:y P:z P:z P:y P:y D:xz D:xz P:y P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">61 27 1 14 52 46 47 70 3 16 17 4 26 29 60 62 25 31 64 5 66 18 33 42 68 25 60 15 2 32 65 70 47 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O W W O O O O W W W W O O O O O O O W O W O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.566</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="28">6.56 5.29 5.26 4.05 2.65 2.62 2.26 2.16 2.06 1.82 1.72 1.71 1.67 1.65 1.61 1.52 1.47 1.41 1.40 1.36 1.21 1.20 1.18 1.15 1.15 1.14 1.09 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:z P:z P:z P:y P:z P:z P:y D:x2-y2 P:z P:y P:y P:x P:y P:x P:z D:z2 D:z2 P:y P:x P:z D:xy D:xy P:z P:z P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">51 95 56 81 56 82 57 81 103 85 83 94 51 87 93 83 7 12 59 95 59 9 19 96 58 63 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O Tc O O O O O O O W W O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.538</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="33">10.94 3.82 3.78 2.50 2.48 2.17 2.15 2.12 2.09 1.85 1.84 1.82 1.80 1.77 1.75 1.65 1.64 1.61 1.61 1.31 1.30 1.18 1.17 1.14 1.12 1.08 1.07 1.04 1.04 1.04 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:x P:x P:x P:x D:z2 D:z2 D:xy D:xy P:z P:z D:yz D:yz P:y P:y P:x P:x P:y P:y D:z2 D:z2 P:y P:y P:x P:x P:y P:y P:y D:xz D:xz P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">40 44 69 36 98 4 17 14 1 27 61 2 15 70 47 47 70 33 66 15 2 29 62 46 52 69 44 64 16 3 31 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O W W W W O O W W O O O O O O W W O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.520</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="31">9.91 2.48 2.47 2.10 2.09 2.08 2.08 2.03 2.02 2.01 2.01 1.86 1.78 1.75 1.63 1.60 1.60 1.59 1.42 1.39 1.30 1.30 1.29 1.20 1.18 1.18 1.17 1.10 1.09 1.08 1.07</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:z P:y P:y D:z2 D:z2 P:z P:z P:z P:z P:y P:x P:x P:y P:y P:x P:x D:xy D:xy D:yz D:yz P:y P:y P:y P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">38 49 71 66 33 16 3 70 61 47 27 28 71 49 47 70 67 34 1 14 5 18 30 49 71 64 31 65 32 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O W W O O O O O O O O O O O W W W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.509</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="31">8.46 4.34 4.31 3.33 3.30 2.81 2.48 2.47 1.98 1.97 1.74 1.72 1.57 1.57 1.56 1.51 1.48 1.47 1.47 1.44 1.44 1.40 1.37 1.35 1.32 1.27 1.27 1.14 1.14 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 D:yz D:yz P:y P:y P:z P:y P:y D:xy D:xy P:y P:y P:y P:y P:z P:y P:y P:x P:x P:z P:z D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="31">93 9 19 51 95 86 79 24 11 6 53 80 81 56 73 92 48 58 63 56 81 19 9 8 13 48 92 10 20 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W W O O O O O W W O O O O O O O O O O O W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.495</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="38">4.77 3.98 3.97 3.09 2.26 2.26 2.26 2.25 2.17 2.03 2.01 1.96 1.96 1.85 1.77 1.77 1.77 1.76 1.74 1.69 1.68 1.51 1.45 1.44 1.40 1.39 1.36 1.27 1.26 1.25 1.25 1.23 1.16 1.14 1.14 1.13 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:z D:z2 D:z2 P:x P:z P:z P:y P:y P:x D:z2 D:z2 P:y P:y P:x P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:z D:xy P:z P:z D:xy P:z D:xy D:x2-y2 D:xy D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">26 5 18 28 49 71 49 71 26 3 16 67 34 38 45 41 29 62 40 31 64 30 54 43 44 69 40 18 28 27 5 61 2 4 15 17 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O W W O O O O O O W W O O O O O O O O O O O O O O O O W O O 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">-11.457</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="27">7.45 5.61 3.34 3.30 3.12 3.11 2.63 2.63 2.59 2.58 2.58 2.57 2.45 2.45 2.21 2.11 2.09 2.08 2.08 1.87 1.85 1.43 1.14 1.12 1.07 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:z P:z P:x P:x D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:y P:y P:x P:y P:x P:x P:y P:x P:x P:z D:x2-y2 D:x2-y2 P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">28 30 31 64 16 3 2 15 3 16 27 61 69 44 40 64 68 42 31 97 35 22 2 15 62 29 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W W W W W W O O O O O O O O O O O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.418</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">4.02 3.77 2.96 2.95 2.49 2.46 2.43 2.41 2.40 2.37 2.30 1.88 1.83 1.76 1.71 1.67 1.64 1.52 1.48 1.47 1.47 1.46 1.45 1.43 1.41 1.32 1.32 1.31 1.31 1.07 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:y P:y P:z P:z D:yz P:z D:yz D:yz D:yz P:y P:y P:z P:z P:y P:y D:xy P:x P:x P:x P:x D:xy D:x2-y2 D:x2-y2 D:yz D:yz P:y P:y P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">85 86 57 82 93 63 8 58 13 6 11 94 87 56 81 99 77 7 56 95 51 81 12 12 7 19 9 50 55 55 50 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O W O W W W O O O O O O W O O O O W W W W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">383</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="49">2.06 2.05 2.03 2.02 1.99 1.95 1.92 1.89 1.89 1.84 1.83 1.82 1.71 1.70 1.59 1.58 1.49 1.48 1.44 1.43 1.24 1.24 1.22 1.21 1.20 1.20 1.20 1.19 1.19 1.19 1.18 1.13 1.12 1.12 1.12 1.11 1.10 1.09 1.08 1.08 1.06 1.06 1.04 1.03 1.03 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="49">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="49">P:z P:z P:y P:y D:z2 P:x P:x D:xz D:xz P:z P:x P:z D:z2 D:z2 P:x P:x D:xy D:xy D:xy D:xy P:x P:x D:xy D:xy P:x P:z P:x P:x P:z P:x P:x P:y P:y P:y D:z2 D:z2 P:y P:x P:x P:y P:y P:z P:z P:z P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="49"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="49">1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="49">54 43 29 62 100 26 30 5 18 60 37 25 17 4 71 49 15 2 3 16 41 45 4 17 68 34 42 40 67 47 70 35 97 98 16 3 36 69 44 43 54 40 61 27 31 28 36 98 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="49">O O O O Tc O O W W O O O W W O O W W W W O O W W O O O O O O O O O O W W O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.381</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">4.22 4.21 3.74 3.73 3.06 3.04 3.03 3.03 2.72 2.70 2.48 2.47 2.46 2.45 2.37 2.37 2.23 2.21 2.02 2.02 1.95 1.93 1.52 1.52 1.35 1.35 1.13 1.13 1.09 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:z P:z P:x P:x D:yz D:yz P:x P:x P:y P:y P:y P:y D:z2 D:z2 P:z P:z P:z P:z P:y P:y D:xy D:xy D:xy D:xy P:x P:x P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">70 47 71 49 1 14 45 41 25 60 29 62 18 5 44 69 60 25 34 67 2 15 5 18 69 44 36 98 65 32 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O W W O O O O O O W W O O O O O O W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.372</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="23">6.40 6.37 4.10 4.09 3.16 3.15 3.12 3.12 2.74 2.72 1.52 1.46 1.45 1.38 1.35 1.34 1.33 1.33 1.33 1.26 1.25 1.08 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:z P:z P:y P:y D:yz P:y D:yz P:y P:y P:y P:x P:z P:z D:xy D:xy D:xy P:z P:z D:xy D:z2 D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.80 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="23">37 26 66 33 4 42 17 68 71 49 37 68 42 5 4 18 32 65 17 15 2 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O W O O O O O O W W 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">-11.223</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="35">3.07 3.05 3.04 3.01 2.96 2.94 2.81 2.77 2.54 2.50 2.36 2.36 2.16 2.13 1.99 1.97 1.96 1.94 1.72 1.71 1.71 1.69 1.44 1.41 1.40 1.39 1.37 1.34 1.34 1.31 1.27 1.26 1.23 1.21 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:yz P:y P:y D:yz P:z P:z P:z P:z P:z P:z P:z P:z D:xy D:xy D:xy D:xy P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:x D:z2 P:x P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">11 76 74 6 90 72 92 48 58 63 78 88 9 19 13 8 79 24 77 58 63 99 76 74 80 53 87 94 23 95 19 51 50 55 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W O O W O O O O O O O O W W W W O O O O O O O O O O O O O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.87 5.83 4.66 4.64 4.12 4.10 2.79 2.77 2.64 2.63 2.15 2.13 2.00 1.98 1.74 1.57 1.55 1.22 1.21 1.19 1.18 1.11 1.08 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:x P:x P:x P:x P:z P:z P:y P:y D:z2 D:z2 D:z2 D:z2 P:x P:x P:y P:z P:z D:x2-y2 D:x2-y2 D:z2 D:z2 P:y D:x2-y2 P:x D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">42 68 64 31 27 61 47 70 4 17 3 16 43 54 37 46 52 17 4 14 1 28 3 97 16 35 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W W W W O O O O O 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">-11.180</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="38">4.05 3.09 3.09 2.27 2.19 2.17 1.96 1.92 1.91 1.85 1.82 1.81 1.79 1.78 1.73 1.70 1.65 1.63 1.59 1.58 1.47 1.42 1.41 1.41 1.40 1.40 1.39 1.37 1.36 1.36 1.35 1.29 1.25 1.23 1.22 1.21 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:x D:xy D:xy P:x P:z P:z P:z P:x P:x D:xy D:xy P:x P:y P:y P:y P:y P:z P:z P:y P:y P:x D:xy P:x D:xy P:x P:x P:x P:x P:y P:x P:y P:z D:xz D:xz P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">26 2 15 37 69 44 30 36 98 18 5 28 54 43 44 69 38 40 66 33 38 17 69 4 44 45 41 70 35 47 97 37 15 2 49 71 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O W W O O O O O O W W O O O O O O O O O O W O W O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.172</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="26">5.32 5.04 3.98 3.87 3.85 3.68 3.56 3.40 2.73 2.65 2.03 2.01 1.82 1.78 1.75 1.74 1.54 1.49 1.42 1.32 1.31 1.16 1.11 1.08 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x D:z2 P:z D:z2 P:z P:x P:x P:x P:x P:x P:x P:z D:z2 D:z2 D:xz P:z P:z P:x D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 1.00 1.33 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="26">92 48 19 76 9 74 95 51 78 88 81 56 85 12 7 103 95 51 73 13 8 13 8 19 9 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O W O O O O O O O O W W Tc O 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">-11.167</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="32">8.40 3.50 3.36 3.34 3.16 2.34 2.15 1.98 1.89 1.88 1.84 1.83 1.81 1.77 1.56 1.51 1.46 1.41 1.37 1.34 1.33 1.30 1.30 1.29 1.22 1.14 1.10 1.08 1.07 1.05 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:x P:x P:z P:z P:z P:z P:x P:y P:y P:y P:y P:x D:z2 D:z2 D:yz D:yz P:z P:x P:z D:z2 D:yz D:z2 D:yz P:x P:x P:x P:x P:x P:y D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">23 55 50 58 63 74 76 57 63 77 58 99 82 9 19 11 6 91 48 75 11 7 6 12 92 99 87 77 94 80 11 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O W W W W O O O W W 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">-11.147</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">7.27 4.01 3.99 2.66 2.65 2.58 2.55 2.50 2.49 2.47 2.47 2.43 2.41 2.11 2.10 2.01 2.00 1.92 1.79 1.79 1.71 1.70 1.51 1.50 1.38 1.37 1.25 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:x P:z P:z D:xy D:xy P:y P:y P:x P:x P:x P:x D:xz D:xz P:y P:y P:y D:yz D:yz P:x P:x P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 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">26 47 70 66 33 1 14 37 28 52 46 68 42 14 1 67 34 38 17 4 64 31 32 65 54 43 33 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O W W O O O O O O W W O O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.106</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">4.84 4.81 3.51 3.49 3.28 3.24 3.00 2.34 2.29 2.05 2.05 1.83 1.81 1.80 1.79 1.72 1.70 1.52 1.25 1.24 1.20 1.20 1.16 1.16 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:z P:z P:z P:z P:x P:x P:x P:y P:y P:z P:z P:x P:y P:x P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">66 33 34 67 66 33 26 33 66 62 29 34 45 67 41 40 38 28 65 32 35 97 44 69 67 34</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">-11.091</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="23">13.15 4.01 3.89 3.04 2.98 2.96 2.82 2.18 2.01 2.01 1.83 1.80 1.50 1.50 1.42 1.40 1.38 1.37 1.28 1.27 1.23 1.23 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:y P:y D:xy D:xy P:x P:x P:y P:y P:y P:x P:x P:x P:x D:yz P:z D:yz P:z P:z P:z D:z2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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="23">96 24 79 6 11 63 58 23 48 92 89 84 83 59 10 89 20 84 58 63 8 13 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W W O O O O O O O O O W O W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.086</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="34">3.69 3.01 2.43 2.38 2.38 2.33 2.31 2.11 2.06 2.02 1.91 1.90 1.89 1.82 1.77 1.77 1.77 1.70 1.68 1.56 1.52 1.38 1.38 1.32 1.28 1.25 1.25 1.17 1.15 1.13 1.11 1.07 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:x P:y P:z P:y P:z P:x P:x P:z P:z D:xy P:z D:xy P:x D:xy P:x D:xy P:x P:x D:z2 D:z2 P:y P:y P:y P:y P:z P:z P:x D:x2-y2 P:x D:x2-y2 D:xy D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 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="34">73 85 80 84 53 89 86 96 55 50 7 96 12 88 8 78 13 93 73 10 20 51 95 94 87 77 99 58 20 63 10 9 19 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O W O W O W O W O O W W O O O O O 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">-11.058</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="26">8.11 6.00 4.36 4.27 3.29 3.28 3.26 3.26 2.35 2.32 2.11 2.02 1.82 1.82 1.61 1.37 1.33 1.30 1.29 1.28 1.26 1.24 1.23 1.05 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:y P:y P:x P:x P:x P:z P:z P:x P:y P:y P:y P:y D:yz D:yz P:y P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">26 37 31 64 67 33 66 34 27 61 44 69 3 16 28 46 52 35 52 46 97 62 29 70 47 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O W W O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.049</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">396</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.25 2.91 2.07 1.92 1.74 1.63 1.63 1.57 1.54 1.48 1.43 1.40 1.40 1.38 1.38 1.31 1.31 1.22 1.22 1.21 1.20 1.13 1.12 1.09 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:z P:z P:x D:z2 D:z2 P:x P:x P:x P:x D:z2 P:y D:z2 P:y D:xy D:xy D:z2 D:xy D:xy P:y D:xy P:y D:xy D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.00 0.80 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">73 96 85 96 93 12 7 86 23 58 63 20 92 10 48 13 8 103 19 9 77 11 99 6 102 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O W W O O O O W O W O W W Tc W 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">-11.046</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">2.36 2.28 1.90 1.90 1.88 1.87 1.76 1.75 1.74 1.71 1.71 1.69 1.69 1.67 1.61 1.58 1.58 1.57 1.55 1.29 1.28 1.26 1.26 1.20 1.18 1.14 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:x P:x P:x P:x P:x P:x D:z2 P:z D:z2 P:y P:x P:y P:z P:y P:z P:z P:y P:x P:y P:x P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">69 44 36 44 98 69 30 28 15 40 2 70 40 47 52 49 38 46 71 66 33 33 66 29 62 73 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W O W O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.979</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="28">6.08 4.60 3.60 3.52 3.40 3.21 2.87 2.42 2.34 2.14 2.12 2.06 1.86 1.66 1.65 1.60 1.53 1.51 1.51 1.50 1.48 1.23 1.23 1.22 1.21 1.18 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:x P:z D:xz P:x P:z P:y D:yz P:y P:y P:y D:xy P:x D:xz P:y D:yz P:z D:x2-y2 P:x P:y P:x D:xz D:x2-y2 P:x P:z D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">86 55 85 7 57 91 88 8 55 50 78 7 89 12 99 13 63 7 50 57 23 10 12 59 75 8 82 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O W O O O W O O O W O W O W O W 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">-10.975</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">5.63 4.61 3.77 3.55 3.48 3.21 3.02 2.97 2.75 2.52 2.36 2.22 2.22 2.14 2.11 1.99 1.91 1.91 1.74 1.72 1.67 1.64 1.58 1.49 1.47 1.43 1.39 1.23</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:z D:xy P:y P:x P:z D:xz P:x P:y P:x P:z P:x D:yz P:x D:xy P:z P:y P:z D:xy D:z2 D:yz D:z2 D:xy P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">50 82 84 75 12 75 83 58 12 55 91 89 50 57 11 59 7 55 77 63 20 7 6 20 10 91 20 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O W O O O W O O O O O W O W O O O 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">-10.963</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="17">5.96 5.70 5.67 5.40 5.37 5.01 4.39 4.24 2.83 2.80 2.17 2.12 1.96 1.92 1.77 1.27 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:z P:x P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:z P:x P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">62 32 29 65 62 29 62 29 32 65 66 33 32 30 65 40 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.962</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="19">22.87 15.70 3.48 3.27 2.78 2.66 2.44 2.37 1.78 1.53 1.53 1.48 1.38 1.11 1.10 1.06 1.06 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">P:y P:y P:x P:x P:x P:z P:x P:z P:z P:y P:z P:x P:x D:xz D:xz P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">28 30 65 32 29 29 62 62 65 40 32 68 42 1 14 71 52 49 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.882</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="23">9.27 9.22 4.15 4.05 3.11 3.09 2.78 2.66 2.07 2.00 1.85 1.81 1.49 1.44 1.39 1.39 1.22 1.22 1.19 1.19 1.16 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:y P:y P:x P:x D:z2 D:z2 P:z P:z P:z P:z P:x D:yz P:x D:yz D:x2-y2 D:x2-y2 D:z2 D:z2 P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">48 92 63 58 51 95 9 19 74 76 90 72 88 19 78 9 19 9 6 11 86 58 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W W O O O O O W O W W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.861</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="33">3.97 3.58 3.55 3.16 3.07 3.06 2.54 2.44 1.93 1.59 1.59 1.49 1.42 1.40 1.38 1.38 1.33 1.30 1.29 1.28 1.27 1.23 1.22 1.21 1.20 1.19 1.11 1.10 1.10 1.10 1.10 1.08 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:z P:y P:y P:z D:xy D:xy P:z P:x P:z P:x P:x D:xz D:xz P:y P:y P:x P:y P:x D:yz P:x P:y D:yz P:y P:y P:x P:x P:z P:y D:xy D:xy P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">93 89 84 23 20 10 73 23 96 59 83 20 10 92 48 73 55 84 9 89 50 19 53 80 58 63 87 59 11 6 83 39 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O W W O O O O O W W O O O O O W O O W 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">-10.825</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="32">4.58 4.49 2.73 2.69 2.55 2.54 2.40 2.38 2.35 2.35 2.31 2.30 2.28 2.27 2.27 2.24 2.24 2.23 1.49 1.45 1.31 1.30 1.14 1.13 1.12 1.11 1.08 1.08 1.06 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:x P:y P:x D:xy D:xy P:z P:z P:z P:z D:z2 D:z2 P:z P:z P:x P:x D:xy D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">37 26 34 67 36 98 60 25 25 60 41 45 61 66 27 33 2 15 31 64 47 70 5 18 44 69 49 71 3 16 62 29</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 W W O O O O W W O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.820</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="42">3.84 2.73 2.73 2.62 2.61 2.60 2.60 2.59 2.55 2.33 2.32 2.03 2.02 1.91 1.86 1.81 1.78 1.77 1.76 1.70 1.65 1.65 1.50 1.48 1.47 1.47 1.44 1.39 1.38 1.38 1.37 1.36 1.36 1.18 1.16 1.15 1.14 1.12 1.10 1.08 1.06 1.04</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:x P:y D:xz P:y D:xz P:x P:z P:z D:xy D:xy D:xy D:xy P:z P:z P:y P:y P:x P:x P:x P:x P:z P:x P:z P:z D:xz P:y D:xz P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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="42">30 69 44 28 97 2 35 15 37 42 68 4 17 16 3 67 34 43 54 26 98 36 33 38 66 64 31 5 67 18 34 65 32 36 98 28 29 62 32 65 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">O O O O O W O W O O O W W W W O O O O O O O O O O O O W 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">-10.796</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="25">3.80 3.77 3.61 3.59 3.37 3.36 3.34 3.34 3.33 3.33 3.20 3.16 2.77 2.72 2.34 2.30 1.91 1.89 1.63 1.61 1.48 1.08 1.06 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:x P:z P:z P:x P:z P:x P:x P:x P:z D:xz D:xz P:x P:x D:xy D:xy D:xz D:xz P:y P:y P:y P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">49 71 71 49 45 69 98 41 36 44 15 2 69 44 5 18 18 5 71 49 26 44 69 15 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W W O O W W W W O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.82 7.77 4.60 4.59 3.86 3.85 3.07 3.02 2.90 2.88 1.90 1.90 1.84 1.82 1.78 1.76 1.59 1.58 1.54 1.53 1.44 1.41 1.22 1.17 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:x P:x P:x P:x P:x P:x P:x P:x D:xy D:xy D:yz D:yz P:y P:y P:z P:z P:y P:y P:y P:y D:z2 D:z2 P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">88 78 58 63 72 90 56 81 11 6 13 8 87 94 92 48 50 55 80 53 8 13 73 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W W W W O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.744</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="24">6.69 6.65 2.87 2.85 2.62 2.61 2.56 2.55 2.47 2.44 2.10 2.08 1.94 1.93 1.70 1.70 1.65 1.64 1.33 1.32 1.30 1.00 1.00 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:y P:z P:z P:x P:x P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z D:yz D:yz P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">70 47 71 49 54 43 69 44 49 71 71 49 64 31 69 44 14 1 35 97 30 27 40 61</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 W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.694</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="34">5.02 4.40 4.32 2.78 2.77 2.75 2.72 2.46 2.46 2.45 2.37 2.36 1.82 1.80 1.49 1.47 1.46 1.45 1.43 1.29 1.28 1.25 1.25 1.25 1.25 1.23 1.15 1.14 1.13 1.10 1.09 1.08 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:y P:y P:z P:z P:z P:z P:z P:z P:x P:y P:y P:y P:y P:z P:x P:x P:z D:z2 P:x D:xy P:x P:x D:x2-y2 D:xy D:x2-y2 P:x P:z P:x P:x P:x D:x2-y2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 0.80 0.80 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="34">85 99 77 77 94 87 99 79 24 86 50 55 82 57 57 53 80 82 103 77 13 23 99 7 8 12 81 85 56 94 87 8 13 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O Tc O W O O W W 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">-10.691</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="20">7.87 7.83 3.18 3.13 2.53 2.53 2.34 2.30 2.00 2.00 1.95 1.95 1.74 1.74 1.71 1.70 1.48 1.32 1.18 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:x P:z D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 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="20">70 47 31 64 71 49 64 31 41 45 42 68 98 36 54 43 38 28 3 16</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 W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.689</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="26">8.71 8.65 2.66 2.66 2.24 2.24 2.05 2.03 1.71 1.70 1.70 1.69 1.68 1.66 1.64 1.64 1.58 1.55 1.42 1.41 1.38 1.36 1.14 1.14 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:x P:x P:z P:z P:x P:x P:x P:x D:x2-y2 D:x2-y2 P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 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="26">47 70 45 41 71 49 69 44 43 54 2 15 98 36 35 97 45 41 35 97 43 54 32 65 1 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O W W O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">412</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.47 4.45 4.43 4.39 3.66 3.65 3.47 3.46 2.55 2.52 2.27 2.24 1.96 1.86 1.86 1.75 1.74 1.70 1.70 1.46 1.44 1.31 1.31 1.26 1.26 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:z P:z P:x P:x P:x P:x D:z2 D:z2 P:y P:y P:x P:x P:z P:z P:z D:xz D:xz P:z P:z P:y P:y P:z P:z D:z2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">31 64 42 68 35 97 4 17 68 42 41 45 37 43 54 3 16 36 98 64 31 70 47 3 16 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W W O O O O O O O W W O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.629</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">413</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">4.72 4.71 3.01 2.96 2.95 2.95 2.56 2.38 2.37 2.32 2.24 2.20 1.98 1.94 1.66 1.63 1.61 1.56 1.56 1.41 1.37 1.37 1.36 1.30 1.29 1.19 1.16 1.13 1.10 1.09 1.06 1.06 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:y P:y P:y P:x P:y P:x P:z P:z D:z2 D:z2 D:z2 D:z2 P:x P:x P:y P:y P:x P:x P:x D:xy P:z P:x D:xy P:y P:y P:x P:x P:y P:z D:z2 P:y D:xy P:z D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 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 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">58 63 84 50 89 55 96 23 20 10 12 7 73 23 55 50 93 89 84 10 73 96 20 53 80 95 51 48 72 9 92 19 90 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O W W W W O O O O O O O W O O W O O 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">-10.615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.25 5.60 5.23 5.18 4.26 4.20 3.76 3.69 2.51 2.48 2.00 2.00 1.90 1.83 1.36 1.35 1.29 1.22 1.19 1.19 1.16 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:z P:z P:y P:y P:x P:x D:xy D:xy P:z P:z P:y P:y P:z P:z D:xy D:xy P:x P:x P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">85 86 77 99 74 76 94 87 12 7 24 79 75 91 50 55 20 10 80 53 23 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O W W O O O O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">5.74 5.72 3.92 3.90 2.83 2.78 2.43 2.41 1.78 1.78 1.66 1.66 1.63 1.62 1.42 1.42 1.39 1.38 1.38 1.38 1.37 1.36 1.36 1.35 1.35 1.34 1.32 1.32 1.26 1.23 1.23 1.22 1.10 1.09 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:z P:x P:x P:y P:y P:x P:x D:x2-y2 D:x2-y2 P:z P:z P:y P:y P:z P:z P:x D:xz P:y P:x D:xz P:y P:x P:x P:x D:x2-y2 P:x D:x2-y2 P:y P:z P:y P:z D:yz D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">31 64 68 42 64 31 43 54 4 17 42 68 42 68 35 97 97 3 71 35 16 49 25 60 31 16 64 3 54 43 43 54 4 17 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O W W O O O O O O O W O O W 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">-10.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.46 6.45 6.32 6.28 4.06 4.03 3.40 3.38 2.99 2.98 2.45 2.45 2.06 2.02 2.01 1.67 1.65 1.32 1.32 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:x P:x P:y P:y P:y P:y D:xy D:xy P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">70 47 44 69 49 71 14 1 71 49 31 64 71 49 30 69 44 29 62 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W W O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.58 7.57 6.71 6.65 3.06 3.03 2.75 2.75 2.13 2.11 2.11 2.11 2.07 2.06 1.53 1.52 1.52 1.50 1.31 1.31 1.26 1.26 1.23 1.23 1.15 1.15 1.10 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:z P:z P:z P:z P:y P:y P:y P:y D:yz D:yz P:y P:y D:z2 D:z2 D:z2 P:z D:z2 P:z P:y P:y P:z P:z D:xy D:xy P:z P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">44 69 64 31 31 64 62 29 3 16 65 32 2 15 16 71 3 49 47 70 68 42 16 3 97 35 69 98 36 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O W W O O W W W O W O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.553</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.43 4.42 3.17 3.16 2.90 2.90 2.89 2.88 2.88 2.81 2.80 2.14 2.14 1.89 1.88 1.71 1.70 1.69 1.62 1.61 1.56 1.56 1.42 1.39 1.38 1.31 1.30 1.26</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z D:yz D:yz P:x P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:y P:z P:y P:z P:z P:y P:y P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">47 70 14 1 34 26 67 66 33 49 71 65 32 64 31 43 40 54 44 69 68 42 28 44 69 35 97 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O W W O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.546</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.31 5.22 5.06 5.01 4.95 4.88 3.69 3.67 2.37 2.33 2.11 2.10 1.95 1.91 1.71 1.69 1.50 1.33 1.32 1.29 1.18 1.17 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:z P:y P:y P:x P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">24 79 53 80 79 24 77 99 99 77 94 87 79 24 80 53 86 87 94 73 53 80 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.532</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.36 7.32 3.21 3.16 3.00 2.99 2.98 2.95 2.53 2.30 2.27 2.03 1.99 1.94 1.93 1.52 1.52 1.49 1.37 1.32 1.26 1.23 1.21 1.20 1.19 1.19 1.19 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:y P:y P:z P:y P:y P:z P:y P:z P:z P:x P:x P:y P:y P:x P:x P:y P:z P:z D:x2-y2 D:x2-y2 P:z D:z2 P:z P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">49 71 68 42 45 33 66 41 26 31 64 45 41 67 34 71 49 37 43 54 5 18 98 5 36 70 18 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">421</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">2.74 2.72 2.66 2.65 2.51 2.48 2.44 2.43 2.42 2.40 2.37 2.37 2.23 2.16 2.08 2.07 1.95 1.93 1.91 1.91 1.69 1.69 1.68 1.66 1.54 1.54 1.36 1.23 1.22 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:z2 D:z2 P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y P:x P:x P:z P:x P:x P:z P:y P:y P:z P:z P:z P:x P:x D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">14 1 45 41 36 98 47 70 30 37 66 33 41 45 65 32 47 70 34 67 54 98 36 43 31 64 28 97 35 29 62 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.45 7.40 6.44 6.41 3.71 3.69 2.51 2.51 2.17 1.72 1.70 1.62 1.62 1.61 1.52 1.51 1.48 1.46 1.44 1.26 1.24 1.16 1.16 1.07 1.07 1.07 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 P:y P:z P:z P:z P:z D:xz D:xz P:z P:z P:z P:x P:z P:z D:x2-y2 D:x2-y2 P:y P:y P:x P:x P:x P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">68 42 42 68 31 64 4 17 26 71 49 38 54 43 17 4 64 31 37 71 49 35 97 70 47 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O W W O O O O O O W W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.457</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">423</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">2.89 2.83 2.83 2.80 2.61 2.61 2.54 2.51 2.30 2.26 2.26 2.22 2.14 2.09 1.94 1.91 1.87 1.87 1.83 1.76 1.75 1.70 1.69 1.52 1.48 1.45 1.40 1.40 1.39 1.35 1.34 1.32 1.20 1.15 1.07 1.03 1.03 1.00</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:z P:z P:z P:z P:z P:y P:y P:z P:y P:y P:x P:z P:z P:x P:z P:z P:y P:y P:z P:x P:x D:xy D:xy P:z P:y P:y P:y P:y D:xy D:xz D:xy D:xz P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">79 88 24 78 53 95 51 80 80 53 86 92 48 93 87 94 87 94 73 58 63 8 13 23 79 24 81 56 19 10 9 20 79 24 89 84 99 77</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 W W O O O O O W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.445</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">424</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.38 11.36 4.30 4.28 2.80 2.79 2.70 2.68 2.04 2.03 1.76 1.71 1.71 1.71 1.26 1.25 1.22 1.20 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">42 68 64 31 69 44 69 44 97 35 40 49 37 71 64 31 44 69 43 54</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">-10.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">20.14 17.47 4.75 4.73 4.49 3.72 2.59 2.52 2.34 2.33 2.11 2.09 1.80</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:y P:y P:z P:z P:y P:y P:x P:x P:x P:x D:xz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</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 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">73 93 24 79 86 85 24 79 80 53 6 11 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-10.419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">426</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.23 7.24 3.34 3.32 3.06 3.01 2.72 2.61 2.51 2.43 2.39 2.28 2.27 2.14 2.11 1.56 1.55 1.48 1.46 1.36 1.16 1.12 1.06 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:x P:z P:z P:y P:x P:x P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:y P:z P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">85 86 77 99 94 87 73 24 79 48 92 75 91 91 75 58 63 80 53 93 57 82 59 72 83 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.397</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">427</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.78 3.79 3.76 3.75 3.59 3.23 3.09 3.04 2.90 2.64 2.52 2.36 2.26 2.26 2.20 1.94 1.79 1.79 1.67 1.51 1.44 1.41 1.33 1.32 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:x P:x D:z2 D:xz P:x P:z P:z P:x P:z D:z2 P:z P:x P:x P:z D:xz D:x2-y2 P:z P:x P:x D:x2-y2 P:x P:x D:xy D:z2 P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 1.33 1.33 0.80 0.80 1.33 1.33 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="28">89 57 95 13 10 78 92 84 59 78 19 59 81 72 50 7 10 81 73 55 13 76 88 20 10 92 85 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O W W O O O O O W O O O O W W O O 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">-10.395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">428</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.90 4.09 4.05 3.54 3.53 3.26 3.22 3.19 2.73 2.66 2.62 2.32 2.16 2.13 2.12 2.02 1.81 1.59 1.55 1.50 1.34 1.28 1.23 1.23 1.20 1.20 1.18 1.05 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 D:xz P:x P:x P:z P:x D:z2 P:z P:z P:z P:x D:z2 P:x P:x D:xz P:z P:x D:x2-y2 D:xy P:z D:x2-y2 P:x P:y P:x D:z2 P:y P:x D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">84 20 82 83 89 51 8 48 55 88 88 9 56 90 12 83 50 20 10 56 8 74 50 59 20 89 73 7 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O W O O O O W O O O O W O O W O O W W O 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">-10.391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">429</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">14.10 13.96 3.17 3.16 2.63 2.61 2.18 2.14 1.53 1.52 1.43 1.37 1.36 1.34 1.27 1.23 1.20 1.16 1.15 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x D:yz D:yz P:x P:x P:y P:y P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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="21">63 58 92 48 50 55 50 55 92 48 81 56 6 11 78 88 89 84 95 51 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O 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">-10.339</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.09 8.79 4.83 4.66 3.65 3.30 3.19 3.12 3.06 3.02 2.98 2.58 2.43 2.41 1.39 1.37 1.33 1.31 1.21 1.16 1.12 1.11 1.06 1.04 1.03 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:x P:x P:x D:yz P:z P:z P:y P:y P:y P:y D:yz P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">27 61 60 25 100 98 36 43 54 35 97 101 29 62 33 66 31 64 98 36 29 62 35 54 43 45 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O Tc O O O O O O Tc O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.319</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">431</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.20 9.90 4.98 4.83 3.26 3.18 2.82 2.72 2.28 2.28 2.26 2.26 1.91 1.87 1.87 1.85 1.83 1.50 1.49 1.29 1.19 1.15 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:z P:z P:y P:y P:y P:z P:y P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">61 27 25 60 36 98 36 98 41 71 45 49 38 35 97 41 45 54 43 97 35 101 37 30</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.315</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">432</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">8.68 8.37 2.81 2.64 2.40 2.34 2.30 2.21 2.16 1.99 1.99 1.90 1.89 1.78 1.50 1.50 1.42 1.41 1.31 1.30 1.26 1.23 1.19 1.16 1.08 1.05 1.05 1.04 1.03 1.01 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 P:y P:z P:x P:x P:z P:z P:x P:x P:z P:x D:x2-y2 P:x D:x2-y2 P:z P:y P:z P:y P:y P:y P:z P:z P:y P:z P:y P:z D:x2-y2 D:x2-y2 P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">58 63 57 59 55 82 92 83 50 48 95 7 51 12 81 94 56 87 57 50 84 89 55 59 82 55 10 20 88 57 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O W O W O O O O O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.298</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">433</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.92 7.88 4.30 4.28 3.37 2.26 2.25 2.21 1.77 1.77 1.69 1.69 1.64 1.64 1.24 1.19 1.19 1.08 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:y P:y P:z P:z P:z P:z P:z P:x P:z P:z P:z P:z P:y P:y P:z P:x P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">70 47 69 44 40 52 46 40 64 31 71 49 52 46 22 64 31 92 42 68 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">434</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.20 4.05 2.96 2.95 2.21 2.04 2.03 2.03 2.00 1.98 1.91 1.62 1.58 1.53 1.47 1.44 1.43 1.43 1.35 1.33 1.29 1.23 1.21 1.17 1.11 1.10 1.10 1.10 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x D:xz P:z D:xz P:z P:x P:x P:z P:x P:z P:z P:x P:z P:z P:z D:xz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">92 48 63 58 78 70 47 88 48 92 82 57 83 82 9 48 19 73 57 59 83 56 92 23 81 69 59 44 8 13 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O W O W 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">-10.274</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">435</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.65 6.31 3.43 3.43 3.04 2.95 2.42 2.41 2.39 2.31 2.11 1.91 1.86 1.77 1.74 1.72 1.71 1.62 1.53 1.52 1.39 1.25 1.20 1.18 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:z P:x P:x P:x P:y P:x P:y P:x P:x P:z D:x2-y2 P:z P:x D:x2-y2 P:x D:z2 D:z2 P:y D:x2-y2 P:y D:x2-y2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">78 88 92 48 81 56 88 92 78 48 89 84 95 13 51 92 8 48 8 13 58 19 63 9 13 8</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 W O W W O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.67 3.64 3.56 3.49 3.45 3.38 3.35 3.19 2.75 2.74 2.38 2.36 2.10 1.89 1.85 1.75 1.67 1.57 1.41 1.30 1.27 1.26 1.18 1.16 1.15 1.12 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:y P:x P:x P:x P:x P:x P:x P:x P:z P:x P:z D:x2-y2 P:z P:z P:x P:x P:y P:z P:y P:y P:x P:z P:y P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411</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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">83 50 59 55 82 84 57 89 39 23 88 96 78 103 51 95 21 93 48 48 92 63 75 92 58 91 48 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.91 3.90 3.51 3.50 3.02 3.01 2.92 2.91 2.72 2.70 2.62 2.48 2.13 2.11 1.87 1.84 1.81 1.78 1.74 1.73 1.70 1.42 1.36 1.24 1.23 1.19 1.15 1.15 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:z P:z P:z P:z P:x P:x D:z2 D:z2 P:x P:x P:z P:z D:z2 P:y P:y P:y P:y P:y P:y P:x P:x D:z2 D:xz D:xz D:x2-y2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">94 87 77 99 79 24 53 80 6 11 86 73 81 56 103 56 81 88 57 82 78 84 89 102 20 10 6 11 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W W O O O O Tc O O O O O O O O Tc W W W W 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">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">6.90 6.84 5.81 5.79 4.55 4.49 3.38 3.38 2.42 2.42 2.26 2.25 2.09 1.44 1.43 1.35 1.33 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y P:y D:xy D:xy P:z P:z P:y P:y P:z P:z P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">58 63 78 88 55 50 6 11 77 99 89 84 86 63 58 87 94 85 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">439</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.84 6.82 5.67 5.64 3.58 3.27 3.26 2.68 2.65 2.12 2.11 1.84 1.84 1.62 1.61 1.61 1.60 1.53 1.43 1.43 1.20 1.20 1.20 1.17 1.16 1.16 1.07 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z D:z2 D:z2 P:x P:x P:z P:z P:y D:yz D:yz P:x P:x P:y P:y P:y P:y D:x2-y2 D:z2 D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">31 64 69 44 28 47 70 44 69 62 29 2 15 42 68 32 65 40 1 14 46 52 38 30 29 62 15 16 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O W W O O O O O W W O O O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.182</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">440</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.53 5.52 4.39 4.32 4.30 4.29 3.83 3.80 3.46 3.43 3.25 3.22 2.23 2.21 1.83 1.83 1.64 1.61 1.45 1.45 1.44 1.43 1.33 1.07 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:x P:x P:y P:z P:z P:y P:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x D:xy P:z D:xy P:z D:xy P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 11.931 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">47 70 40 44 69 38 42 68 44 69 46 52 42 68 49 71 31 64 1 71 14 49 104 49 28 71</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 W O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.99 7.94 6.23 6.09 3.20 3.12 2.52 2.44 2.39 2.37 2.15 2.08 1.50 1.47 1.44 1.43 1.42 1.41 1.39 1.23 1.22 1.19 1.18 1.17 1.07 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:z P:z P:y P:y P:y P:y D:yz D:yz D:z2 P:y D:z2 P:y P:y P:y P:y P:y P:x P:x D:z2 D:z2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">92 48 55 50 89 84 48 92 80 53 9 19 20 88 10 79 78 24 84 89 48 92 19 9 96 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O W W W O W O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">442</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.59 4.47 3.79 3.51 3.49 2.69 2.66 2.39 2.37 2.30 2.29 2.10 2.08 1.88 1.86 1.43 1.35 1.26 1.25 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">P:x P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931</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 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">38 38 40 71 49 52 46 68 42 69 44 64 31 68 42 47 70 49 71 104</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 P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.08 5.07 4.27 4.24 2.71 2.61 2.41 2.36 2.13 2.06 2.02 1.67 1.59 1.45 1.34 1.26 1.24 1.20 1.16 1.13 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:y P:y P:x P:y P:y P:x D:yz P:z D:yz P:z P:x P:x P:x P:x P:z P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</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 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="21">58 63 89 84 59 57 82 83 6 23 11 96 50 55 91 75 57 81 81 57 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O 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">-10.141</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">3.86 3.36 3.24 3.12 3.09 3.01 2.88 2.71 2.25 2.24 2.13 2.12 2.00 1.99 1.83 1.67 1.66 1.65 1.63 1.62 1.48 1.45 1.45 1.42 1.35 1.27 1.24 1.23 1.22 1.14 1.13 1.12 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">P:z P:z P:z P:y P:y P:y P:z P:y P:y P:x P:y P:y P:z P:y P:x P:x P:z P:y P:y P:y P:y P:z P:z P:x P:x P:z D:z2 D:z2 P:x P:y P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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="34">55 82 50 78 86 85 57 88 23 82 77 99 83 58 57 56 59 87 96 63 94 56 51 51 81 95 7 12 83 93 81 95 50 92</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 W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">445</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.78 8.77 5.57 5.53 3.63 3.43 3.40 3.34 3.32 3.28 3.26 1.82 1.81 1.66 1.64 1.57 1.53 1.51 1.50 1.47 1.47 1.46 1.44 1.43 1.42 1.39 1.37 1.33 1.32 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z D:z2 D:z2 P:y P:y P:y P:y P:z P:z D:xy D:yz D:yz D:xy D:xy D:xy D:x2-y2 D:x2-y2 P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">42 68 71 49 26 47 70 47 70 49 71 5 18 33 66 70 47 66 33 4 1 14 17 1 14 5 18 34 67 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O W W O O O O O O W W W W W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.079</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">446</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.33 8.91 5.64 5.44 3.45 3.24 2.41 2.27 1.77 1.62 1.51 1.43 1.37 1.28 1.19 1.18 1.16 1.06 1.04 1.01 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:z P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:x P:z P:y P:x P:z P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">78 88 84 89 48 92 78 88 55 50 86 84 89 48 48 78 92 92 53 55 88 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.076</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">447</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.93 7.47 4.30 3.48 3.06 2.86 2.80 2.14 2.12 2.09 2.07 2.06 1.96 1.90 1.86 1.85 1.84 1.65 1.64 1.54 1.52 1.51 1.41 1.28 1.25 1.23 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x P:z P:z P:x P:x P:x P:z P:z D:x2-y2 P:x P:x P:y P:x P:y P:z P:z P:z P:y P:z P:z P:y P:y P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">50 55 39 88 78 74 76 88 23 89 103 92 78 50 48 55 84 82 92 88 48 57 78 58 63 92 85 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.61 7.96 7.93 4.38 4.38 4.35 2.47 2.45 1.79 1.79 1.52 1.51 1.30 1.30 1.27 1.26 1.17 1.16 1.16 1.14 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:z P:z P:y P:z P:z P:y P:y P:z P:z P:x P:x P:z P:z P:y P:x P:y P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">26 49 71 67 34 38 66 33 31 64 29 62 65 32 32 65 36 61 98 27 37 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.020</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">449</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">6.68 6.68 6.52 6.50 5.66 5.66 3.62 3.60 3.43 3.42 3.30 3.29 2.55 1.26 1.26 1.25 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:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931</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 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">46 52 42 68 64 31 69 44 70 47 71 49 40 42 68 38 104</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 P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.002</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.39 10.39 5.11 4.31 3.27 3.25 2.92 2.92 2.86 2.83 1.99 1.98 1.67 1.65 1.53 1.52 1.34 1.27 1.25 1.22 1.22 1.22 1.21 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:y P:z P:z P:z D:z2 D:z2 P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">44 69 40 28 68 42 52 46 47 70 49 71 97 35 65 32 38 41 45 36 2 15 98 36 98</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 W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.960</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">451</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.42 9.39 6.72 6.62 4.61 4.58 4.47 3.48 3.47 2.36 2.35 1.87 1.83 1.64 1.51 1.46 1.45 1.23 1.22 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:z P:z P:z P:z P:z P:z P:y P:y P:z P:x P:x P:z P:z D:z2 P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">63 58 84 89 96 48 92 90 72 72 90 23 96 21 50 55 105 84 89 88 78</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 P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.930</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.86 5.77 4.45 4.41 4.25 4.22 3.04 2.99 2.71 2.65 2.61 2.58 2.20 1.93 1.92 1.80 1.77 1.73 1.59 1.58 1.49 1.48 1.44 1.42 1.41 1.37 1.10 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:x P:x P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z D:yz P:x P:x P:z P:z D:yz P:x P:x D:xy D:xy P:x P:x P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">76 74 81 56 95 51 79 24 91 75 99 77 102 77 99 59 83 103 79 24 9 19 55 50 89 84 48 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O Tc O O O O Tc O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.893</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.75 5.72 5.68 3.69 3.67 3.30 3.10 3.04 3.03 2.83 2.82 2.79 2.77 2.08 2.00 1.98 1.97 1.96 1.81 1.79 1.71 1.69 1.38 1.36 1.23 1.23 1.16 1.16 1.08 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:x P:y P:y P:y P:y P:x P:x P:z P:z P:y P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">37 66 33 42 68 26 28 34 67 70 47 31 64 30 29 62 27 61 68 42 32 65 45 41 46 52 66 33 47 70 33</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">-9.835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.86 5.80 5.79 3.89 3.72 3.70 3.43 3.40 2.59 2.57 2.43 2.39 2.19 2.15 2.09 2.09 1.90 1.89 1.86 1.81 1.79 1.64 1.61 1.56 1.51 1.30 1.22 1.21 1.20</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:x P:x P:y P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x D:xy P:z P:x P:z P:x P:x P:x P:y P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 11.931 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">23 72 90 96 88 78 50 55 92 48 55 50 91 75 63 58 105 84 50 89 55 84 89 84 89 76 74 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O P O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.799</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">455</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.75 7.66 4.03 3.94 3.79 2.52 2.29 2.28 2.04 2.04 2.00 1.99 1.94 1.90 1.85 1.81 1.80 1.79 1.76 1.74 1.57 1.52 1.49 1.48 1.46 1.35 1.35 1.30 1.07 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:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:z P:x P:z P:x P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">74 76 75 91 23 96 81 56 50 55 89 84 83 59 59 83 51 95 88 78 90 72 83 93 59 86 56 81 86 51 95</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">-9.790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">456</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.09 5.00 4.96 4.60 4.10 4.09 3.13 3.10 2.50 2.12 2.12 2.05 2.04 1.60 1.59 1.58 1.58 1.53 1.52 1.45 1.44 1.41 1.40 1.37 1.36 1.29 1.28 1.22 1.20 1.07 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:y P:x P:x P:y P:z P:z P:x P:x P:y P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:z P:z P:y P:y D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">30 65 32 28 62 29 29 62 37 36 98 45 41 62 29 64 31 47 70 34 67 69 44 66 33 35 97 36 98 32 65 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.76 9.62 8.42 8.41 5.88 5.84 2.70 2.63 2.40 2.40 2.12 2.10 2.07 2.06 1.78 1.78 1.44 1.37 1.35 1.35 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:y P:y P:y P:y P:x P:x P:z P:z D:z2 D:z2 P:y P:y P:z P:z D:xy D:xy P:y P:y D:x2-y2 D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027</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 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">50 55 88 78 63 58 55 50 12 7 48 92 63 58 11 6 58 63 7 12 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W W O O O O W W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.754</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.84 8.62 6.89 6.88 6.87 6.77 5.10 5.02 2.90 2.88 2.15 2.02 2.01 1.98 1.97 1.95 1.93 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:z P:y P:z P:y P:z P:y P:y D:z2 D:z2 P:y P:x P:x D:x2-y2 D:x2-y2 D:yz D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">89 84 48 63 92 58 84 89 10 20 73 58 63 20 10 6 11 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.676</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.17 6.11 5.68 5.58 4.53 4.45 3.93 3.88 3.53 3.45 2.66 2.58 2.48 2.06 1.41 1.39 1.36 1.34 1.34 1.32</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:x P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">78 88 84 89 72 90 55 50 92 48 58 63 96 23 95 78 51 51 95 88</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">-9.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.45 4.13 4.06 3.23 3.03 2.92 2.91 2.89 2.83 2.77 2.40 2.39 2.22 2.22 2.13 2.11 2.11 2.08 2.08 2.06 1.31 1.31 1.18 1.12 1.06 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:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:y P:z P:z P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">85 50 55 23 84 89 94 87 88 78 72 90 82 56 81 58 57 74 76 63 53 80 96 50 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.80 3.67 3.26 3.23 3.06 3.05 2.90 2.89 2.87 2.86 2.64 2.63 2.48 2.11 2.08 2.07 1.78 1.78 1.67 1.65 1.60 1.59 1.46 1.46 1.34 1.33 1.13 1.11 1.10 1.09 1.08 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:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">26 28 66 33 34 67 32 65 29 62 27 61 37 30 36 98 35 97 37 30 60 25 43 54 45 41 33 66 62 65 32 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.607</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.85 6.79 4.11 3.85 3.83 3.21 3.18 3.08 2.71 2.69 2.37 2.35 2.20 2.19 1.89 1.89 1.32 1.31 1.31 1.30 1.27 1.26 1.24 1.23 1.15 1.14 1.13 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:z D:z2 P:z D:z2 P:z P:z P:y P:y P:x D:yz P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 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="29">84 89 96 74 76 78 88 73 83 59 51 95 72 90 63 58 94 20 87 10 80 53 82 57 80 102 53 84 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O W O W O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.58 4.22 3.46 3.46 3.30 3.29 3.05 3.05 2.84 2.75 2.74 2.74 2.73 2.34 2.33 2.31 2.30 1.93 1.81 1.81 1.69 1.61 1.60 1.50 1.42 1.42 1.36 1.33 1.22 1.21 1.09 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:x P:z P:z P:z P:z P:z P:x P:x P:x P:y P:y P:x P:x D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">38 40 71 49 43 54 52 46 26 70 61 47 27 45 41 98 36 38 69 44 37 35 97 37 31 64 27 61 98 36 101 35 97</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.533</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.31 4.12 4.12 3.85 3.70 3.45 3.14 3.13 2.99 2.97 2.51 2.49 2.45 2.43 2.43 2.22 2.18 2.16 2.16 1.87 1.84 1.73 1.70 1.34 1.33 1.13 1.10 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:y P:y P:z P:x D:x2-y2 P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">22 97 35 22 28 100 45 41 36 98 27 61 30 41 45 60 25 44 69 25 60 61 27 54 43 98 36 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.509</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.16 7.13 4.69 4.46 2.97 2.96 2.80 2.78 2.45 2.44 2.14 1.76 1.75 1.74 1.50 1.49 1.43 1.43 1.39 1.39 1.39 1.38 1.38 1.28 1.27 1.27 1.11 1.10 1.10 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:z P:x P:z D:z2 P:y P:y P:y P:y P:x P:x P:x P:y P:x P:y P:x P:x P:z P:z P:y P:y P:y P:y P:x P:z P:x P:x P:z D:z2 P:z D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">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 1.00 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">38 22 22 100 27 61 60 25 46 52 38 45 37 41 47 70 98 36 35 97 43 54 26 30 69 44 25 101 60 101 97 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">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 Tc O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">466</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.33 5.69 4.57 4.53 4.50 3.70 3.67 2.62 2.58 2.21 2.20 2.18 2.16 2.11 2.09 1.98 1.96 1.82 1.77 1.66 1.65 1.32 1.31 1.25 1.23 1.09 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:x P:x P:x P:x P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">85 86 73 77 99 94 87 57 82 24 79 76 74 78 88 77 99 99 77 94 87 53 80 82 57 87 94 58 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">467</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.40 8.39 7.65 7.62 5.49 5.49 3.44 3.41 2.65 1.70 1.68 1.49 1.48 1.46 1.44 1.38 1.37 1.17 1.17 1.16 1.16 1.06 1.05 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:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">45 41 36 98 25 60 61 27 22 97 35 35 97 54 43 66 33 67 34 42 68 35 97 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.410</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">468</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.11 6.05 5.48 5.48 4.62 4.61 3.22 3.21 3.17 2.17 2.16 2.07 2.03 1.91 1.89 1.81 1.61 1.55 1.54 1.51 1.20 1.18 1.15 1.13 1.08 1.07 1.05 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:z P:z P:y P:y P:y P:y P:z P:z P:y P:x P:x P:x P:x P:z P:z P:y D:xy P:y P:y P:y P:x P:x P:x P:x P:z P:z P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="30">52 46 52 46 70 47 35 97 40 44 69 46 52 64 31 22 100 60 25 30 34 67 98 36 98 36 68 42 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O Tc O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">469</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">14.65 5.51 5.49 5.27 5.11 3.88 3.86 3.59 3.59 2.97 2.94 2.94 2.93 1.98 1.79 1.79 1.34 1.17 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:x P:x P:z P:x P:x P:x P:x P:x P:x P:z P:x P:z P:z P:x P:x D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 72 90 96 21 58 63 78 88 92 84 48 89 23 76 74 103 93 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">470</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">12.51 6.08 4.98 4.93 4.88 4.85 2.68 2.67 2.54 2.49 2.30 2.29 2.10 2.07 2.02 1.83 1.82 1.55 1.55 1.53 1.51 1.42 1.26 1.26 1.25 1.25 1.00 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:y P:z P:z P:x P:x P:z P:z P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:x P:y P:x P:y P:y P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">73 93 79 24 80 53 83 59 84 89 77 99 53 80 86 24 79 82 24 57 79 85 53 83 80 59 92 48</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">-9.311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">471</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">18.52 17.86 3.97 2.00 1.98 1.83 1.83 1.80 1.74 1.68 1.67 1.66 1.18 1.17 1.16 1.06 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x D:x2-y2 P:z P:z P:z P:x P:x D:x2-y2 P:x P:z P:x P:z P:x P:x D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">21 39 103 76 74 39 57 82 102 81 21 56 85 88 78 102 55 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O Tc O O O O O Tc O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.304</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">472</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.42 5.40 5.22 5.18 3.65 3.64 2.60 2.40 2.38 1.84 1.84 1.84 1.83 1.83 1.83 1.82 1.82 1.67 1.65 1.51 1.50 1.29 1.27 1.27 1.27</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:x P:x P:z P:z P:y P:y P:y P:y D:xy P:x P:y P:x P:x D:xy P:x P:x P:x P:z P:z P:x D:xy D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">43 54 27 61 97 35 40 36 98 35 3 66 97 34 67 16 33 46 52 34 67 97 15 2 35</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 W O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.282</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.64 2.95 2.62 2.62 2.53 2.51 2.43 2.43 2.40 2.40 2.26 2.17 2.16 2.00 2.00 1.99 1.97 1.86 1.85 1.81 1.80 1.80 1.79 1.77 1.77 1.74 1.73 1.53 1.47 1.40 1.33 1.32 1.28 1.28 1.22 1.20 1.18 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:x P:x P:y P:y P:z P:z P:x P:y P:x P:y P:z P:x P:x P:y P:y P:x P:x P:y P:y P:z P:y P:z P:x P:x P:y P:y P:y P:z P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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">28 26 45 41 33 66 67 35 34 97 37 33 66 27 61 32 65 54 43 62 98 29 62 29 36 60 25 30 37 30 49 71 70 47 31 64 68 42</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">-9.254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.70 9.37 9.33 2.98 2.50 2.47 2.38 2.36 2.34 2.33 2.29 2.26 2.19 2.18 1.98 1.95 1.64 1.63 1.59 1.58 1.54 1.54 1.23 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:x P:x P:y P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 52 46 40 68 42 31 64 52 46 71 49 44 69 49 71 45 41 42 68 60 25 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">475</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">11.73 4.88 3.44 3.28 2.46 2.33 2.17 2.03 1.97 1.85 1.85 1.74 1.72 1.70 1.69 1.68 1.67 1.66 1.56 1.56 1.54 1.54 1.49 1.47 1.47 1.45 1.44 1.28 1.25 1.24 1.21 1.20 1.08</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 D:xz P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z D:z2 P:z P:z P:z P:z P:z P:z P:y P:z P:z P:y P:z P:z P:y P:y P:z P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.00 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">39 103 92 48 95 51 55 50 39 83 59 76 103 73 23 74 50 55 95 94 93 81 87 56 51 79 24 85 53 77 99 80 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O Tc 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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.198</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.13 6.09 5.99 5.34 5.26 4.96 3.67 3.66 3.20 3.15 2.46 2.36 2.32 2.21 1.90 1.82 1.75 1.73 1.28 1.17 1.14 1.09 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:x P:y P:y D:z2 P:x P:x P:y P:y P:x P:y P:y D:z2 P:z P:z P:y P:y D:x2-y2 P:y P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">74 76 93 91 75 103 85 86 95 51 73 56 81 102 57 82 83 59 103 57 82 57 82 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O Tc O O O O O O O Tc O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.172</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">5.55 5.52 4.73 4.70 3.41 2.94 2.93 2.58 2.55 2.51 2.49 2.48 2.47 2.16 2.15 1.84 1.83 1.56 1.55 1.55 1.54 1.46 1.45 1.42 1.41 1.35 1.34 1.34 1.33 1.21 1.21 1.20 1.19 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y P:y P:y D:z2 D:z2 P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z P:z D:xy P:z D:xy P:y P:y D:xy D:xy P:y P:x P:y P:x P:z P:z D:x2-y2 D:x2-y2 P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">43 54 60 25 37 1 14 25 60 27 61 65 32 32 65 54 43 66 17 33 4 36 98 18 5 45 34 41 67 29 62 14 1 61 27 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O W W O O O O O O O O O O O W O W O O W W 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">-9.145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">478</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.82 6.87 6.82 6.62 2.43 1.75 1.64 1.59 1.54 1.50 1.45 1.42 1.39 1.34 1.33 1.27 1.24 1.20 1.16 1.15 1.03 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 D:xz P:x P:z P:z P:x P:z P:z P:z P:x P:z P:z P:z P:y P:z P:z P:z P:z P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">21 103 39 39 85 55 57 21 82 50 93 90 48 57 92 91 73 75 72 82 57 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O Tc O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.091</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.40 4.38 4.37 4.06 3.94 3.81 3.73 3.57 3.56 3.47 3.25 3.25 1.86 1.79 1.63 1.52 1.51 1.47 1.41 1.35 1.34 1.30 1.23 1.20 1.13 1.10 1.09 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:z P:z P:z P:y P:z D:xy P:z P:z P:y P:y P:z P:z P:y P:x P:y P:x P:x P:z P:z P:x P:y P:x P:x P:x P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">90 72 72 90 83 39 59 103 51 95 63 58 78 88 73 94 93 87 24 80 53 79 75 75 51 48 91 91 50 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">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 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">480</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.18 6.00 4.43 4.17 4.15 4.01 3.95 3.40 3.39 2.51 2.44 2.06 2.02 1.98 1.98 1.91 1.90 1.88 1.81 1.43 1.38 1.36 1.24 1.22 1.14 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:z P:y P:z P:x P:x P:z P:x P:x P:y P:y P:y P:z P:y P:y P:z P:z P:y P:z D:xy P:y P:y P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">82 57 21 59 91 75 83 77 99 51 95 85 72 72 90 90 87 86 94 102 58 63 81 56 88 78 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">481</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">18.15 8.89 8.52 2.81 2.39 2.39 2.35 2.31 2.13 2.13 1.81 1.80 1.77 1.67 1.66 1.50 1.40 1.40 1.22 1.22 1.22 1.21 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:x P:z P:z P:x P:z P:y P:y P:y P:y P:x P:z P:z D:x2-y2 P:x P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">22 22 40 40 98 36 38 38 98 36 66 33 37 43 54 100 61 27 70 47 44 69 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 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">-8.993</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.22 4.77 4.13 4.11 3.80 3.47 3.44 3.41 3.21 3.19 2.61 2.59 2.06 1.60 1.59 1.58 1.49 1.46 1.37 1.36 1.35 1.35 1.34 1.29 1.28 1.25 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:y P:y P:x P:y P:y P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:z P:y P:y P:z P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">26 28 29 62 26 34 67 30 45 41 32 65 30 65 38 32 62 29 49 71 37 66 33 46 52 101 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 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">-8.983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.70 5.55 5.30 4.60 4.49 4.47 3.31 3.30 2.56 2.49 1.91 1.84 1.77 1.75 1.73 1.58 1.55 1.50 1.46 1.32 1.24 1.19 1.18 1.16 1.15 1.11 1.11 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:z P:z P:y P:z P:z P:x P:x D:xy P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:z P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">74 76 21 56 81 39 51 95 51 95 103 51 95 56 81 48 75 92 91 50 55 83 82 83 87 59 94 57 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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 O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">12.43 12.39 9.45 7.17 3.15 3.14 3.04 3.01 2.86 2.79 2.36 2.30 1.91 1.89 1.72 1.59 1.59 1.14 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">90 72 96 23 48 92 78 88 84 89 50 55 84 89 21 55 50 93 102</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">12.18 5.38 4.75 4.69 2.75 2.69 2.64 2.59 2.53 2.48 2.44 2.41 2.41 2.33 2.30 2.22 2.21 1.40 1.39 1.39 1.31 1.19 1.19 1.16 1.12 1.11 1.09 1.07 1.07 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:y P:y P:x P:x P:x P:x P:z P:z P:x P:z P:z P:x P:z P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:z P:x D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="30">21 73 82 57 76 74 59 83 59 83 91 21 81 75 56 51 95 53 86 80 85 95 51 77 99 86 89 103 99 77</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.85 4.81 3.57 3.55 3.55 3.54 3.45 3.38 2.81 2.61 2.59 2.27 2.23 2.21 2.21 2.00 1.99 1.98 1.50 1.48 1.44 1.35 1.33 1.19 1.18 1.15 1.08 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:x P:z P:z P:x P:y P:y P:z P:z P:z P:x P:x P:x P:z P:z P:z P:z P:y P:y P:x P:z P:z P:z P:z P:x D:xz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">33 66 45 25 60 41 41 45 26 38 28 22 36 98 22 45 37 41 25 60 28 46 52 47 70 30 101 65 32</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 Tc 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">487</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.56 6.51 4.33 4.28 3.31 3.31 3.05 2.95 2.71 2.71 2.61 2.56 2.53 2.52 2.35 2.34 2.17 2.16 2.13 2.12 1.57 1.56 1.49 1.48 1.47 1.45 1.26 1.25 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">27 61 35 97 43 54 40 38 29 62 66 33 43 54 68 42 31 64 35 97 52 46 65 32 67 34 49 71 22</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">-8.858</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.11 5.74 3.21 2.36 2.33 2.30 2.20 2.17 1.73 1.73 1.65 1.60 1.57 1.38 1.37 1.37 1.36 1.30 1.09 1.08 1.05 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:z P:x P:z P:x P:x P:x P:x P:z P:x P:z P:z P:x D:xz P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">21 39 96 23 85 23 96 39 94 87 90 72 93 78 24 79 88 103 59 79 24 83</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 Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.825</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">7.26 4.00 3.10 2.78 2.69 2.52 2.31 2.26 2.21 2.21 2.04 2.00 1.69 1.68 1.67 1.65 1.64 1.61 1.61 1.59 1.53 1.49 1.48 1.43 1.43 1.36 1.33 1.32 1.31 1.19 1.15 1.13 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:x P:x P:z P:x P:x P:x P:x P:z P:z P:y P:y P:x P:z P:x P:x P:z P:x P:x P:z P:x P:x P:z P:x P:z P:x P:x P:y P:y P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">23 39 85 96 21 23 96 93 57 82 59 83 87 95 94 79 51 24 72 39 90 76 55 74 50 58 63 56 81 86 91 75 83 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.793</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">5.05 5.03 3.35 3.33 2.84 2.80 2.80 2.78 2.69 2.56 2.54 1.97 1.96 1.94 1.92 1.89 1.85 1.83 1.83 1.83 1.81 1.38 1.37 1.26 1.25 1.23 1.21 1.18 1.18 1.16 1.15 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y D:z2 D:z2 P:y P:y P:y P:y P:y P:y P:y P:z P:y P:y P:z P:y P:z P:x P:z P:y P:x D:x2-y2 D:x2-y2 D:xy D:xy P:z P:z P:z D:xy D:xy P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">56 81 6 11 59 75 83 91 86 74 76 91 51 95 75 82 99 87 77 57 94 11 6 13 8 24 79 76 12 7 74 90 96 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O W W O O O O O O O O O O O O O O O O O W W W W O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.781</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.04 2.78 2.78 2.72 2.45 2.41 2.21 2.10 2.07 2.07 2.04 2.04 1.74 1.74 1.69 1.58 1.58 1.48 1.47 1.45 1.44 1.39 1.38 1.38 1.33 1.10 1.10 1.08 1.07 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:z P:x P:x P:z P:x P:x P:x P:y P:y P:z P:x P:z P:z P:z P:x P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">28 67 34 40 97 35 39 32 65 61 37 27 33 66 26 46 52 49 71 41 45 34 67 41 45 70 47 46 52 37 61 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.49 7.39 6.64 6.58 5.50 5.47 5.40 3.90 2.71 2.66 2.61 2.24 2.23 1.89 1.87 1.58 1.57 1.10 1.08 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:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:y P:y P:z P:z P:y P:y P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">45 41 36 98 60 25 40 38 27 61 22 27 61 98 36 98 36 41 45 100</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.712</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.31 5.26 4.89 3.61 3.34 3.32 3.32 3.30 2.60 2.60 2.60 2.57 2.45 2.43 2.28 2.19 2.17 2.17 2.16 1.49 1.49 1.36 1.34 1.13 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">62 29 26 30 32 65 60 25 27 61 29 62 43 54 22 36 98 52 46 98 36 71 49 98 36 38</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">-8.648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">12.95 3.84 3.57 3.55 2.68 2.64 2.59 2.56 2.53 2.50 2.30 2.27 2.00 1.97 1.78 1.61 1.41 1.39 1.28 1.26 1.23 1.21 1.21 1.20 1.18 1.17 1.15 1.06 1.06 1.05 1.05 1.03 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">P:y D:xy P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x D:xy P:z P:y P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">22 100 43 54 69 44 98 36 45 41 42 68 35 97 40 38 43 54 41 45 45 41 27 61 71 49 101 98 65 32 23 42 36 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O Tc O O O O O O O O O O O O O O O O O O O O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.625</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">495</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.57 6.97 4.89 4.06 3.93 3.83 3.67 2.70 2.22 2.20 2.18 2.14 2.07 1.82 1.79 1.51 1.51 1.39 1.27 1.18 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y D:xy P:z P:z P:z P:z P:y P:z P:z P:x P:x P:y P:x P:x P:z P:z P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">23 39 103 90 72 51 95 96 48 92 48 92 21 51 95 50 55 22 82 57 24 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.14 6.12 5.96 5.93 5.81 4.57 4.55 2.70 2.69 2.66 2.12 2.09 2.02 1.88 1.76 1.74 1.71 1.69 1.38 1.36 1.14 1.12 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:z P:z P:z P:x P:x P:x P:y P:y P:y P:y P:z D:xz P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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="24">97 35 97 35 26 31 64 37 29 62 44 69 28 101 49 71 62 29 64 31 49 71 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">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">-8.591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">497</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.53 6.91 5.69 5.02 3.95 3.93 3.82 3.27 2.86 2.86 2.85 2.78 2.76 1.78 1.77 1.64 1.63 1.61 1.61 1.61 1.60 1.59 1.54 1.52 1.51 1.21 1.20 1.17 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:x P:z P:z D:z2 P:z P:z D:z2 P:z P:y P:y P:y P:y P:x P:x P:x P:z P:x P:x P:x D:x2-y2 P:x P:x P:y P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.00 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 1.00 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">28 26 30 37 36 98 100 37 41 101 45 35 97 54 43 29 62 66 30 33 67 34 100 47 70 45 41 101 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O Tc O O Tc O O O O O O O O O O O O Tc O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.557</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.46 8.44 5.89 5.85 4.84 4.84 3.40 2.38 2.30 2.20 2.19 2.00 1.99 1.91 1.83 1.78 1.77 1.55 1.55 1.51 1.46 1.19 1.19 1.17 1.16 1.11 1.10 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:x P:x P:z P:z P:z P:y P:y P:y P:y P:y P:y P:z D:xz P:y P:y P:z P:z P:x P:z P:y P:x P:y P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="29">43 54 68 42 54 43 28 42 68 49 71 66 33 22 100 98 36 61 27 30 26 64 33 31 66 34 67 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.27 7.22 5.67 5.64 4.57 4.54 3.66 3.63 3.33 3.29 2.06 2.06 1.99 1.95 1.94 1.93 1.89 1.85 1.56 1.56 1.42 1.41 1.41 1.40 1.33 1.25 1.22 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:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:z P:y P:z P:x P:x P:y P:y P:y P:y P:z P:z D:xy P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">49 71 47 70 65 32 34 67 41 45 44 69 71 97 49 35 45 41 25 60 46 52 52 46 101 69 44 32 65</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.504</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">500</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.40 6.03 5.90 5.85 5.81 5.72 4.71 4.67 3.91 3.86 3.79 2.34 1.62 1.57 1.38 1.36 1.36 1.29 1.19 1.16 1.16 1.16 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:z P:y P:y P:y P:z P:y P:y P:y P:y P:z P:y P:z P:x P:x P:x P:z P:z P:x P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">85 79 24 99 73 77 80 53 94 93 87 86 59 83 99 94 87 77 80 53 93 79 24</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">-8.485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">501</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.87 5.86 5.50 5.43 4.40 4.37 4.24 4.09 4.05 3.70 3.68 2.61 2.56 2.05 2.04 1.68 1.65 1.60 1.59 1.59 1.57 1.32 1.23 1.22 1.06 1.04 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:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:x P:y P:z P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">70 47 66 33 42 68 22 54 43 35 97 33 66 43 54 68 42 97 46 52 35 40 52 46 65 32 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.451</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">502</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.70 6.30 3.74 3.16 3.09 2.99 2.97 2.79 2.51 2.50 2.50 2.48 2.45 2.31 2.19 2.09 1.99 1.97 1.91 1.83 1.80 1.39 1.35 1.17 1.15 1.11 1.09 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:y P:x P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x P:y P:x P:x P:y P:x P:x P:y P:y P:y P:z P:y P:z D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="30">76 74 57 57 82 81 56 82 88 99 78 81 56 95 55 77 59 83 39 51 50 76 74 90 91 72 57 103 24 23</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.01 9.99 5.35 4.37 4.11 3.03 2.95 2.92 2.82 2.69 2.67 1.92 1.82 1.61 1.59 1.52 1.50 1.45 1.43 1.39 1.36 1.25 1.20 1.13 1.12 1.11 1.11 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:z P:z P:z P:y P:z P:z P:y P:z P:z P:y P:y P:x P:y P:y P:x P:z P:y P:x P:z P:y P:x P:y P:y P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">47 70 26 37 30 65 34 67 32 65 32 66 34 64 67 33 31 66 41 42 33 45 68 69 25 44 41 60 45</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">-8.434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">504</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.77 7.73 4.86 4.82 4.10 4.09 3.72 3.32 3.26 2.91 2.89 2.29 2.23 1.98 1.96 1.75 1.75 1.68 1.46 1.45 1.35 1.33 1.28 1.27 1.14 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y P:y P:x P:x P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:y P:x P:x P:y P:y P:y P:y P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">29 62 64 31 97 35 38 31 64 66 33 62 29 35 97 34 67 40 52 46 32 65 42 68 68 42 101</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.76 6.11 5.00 4.70 2.41 2.31 2.30 2.23 2.12 2.08 1.91 1.79 1.77 1.71 1.69 1.64 1.63 1.61 1.53 1.49 1.47 1.35 1.28 1.27 1.26 1.22 1.21 1.19 1.18 1.09 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:x P:x P:x P:x P:z P:x P:x P:y P:y P:z P:z P:z P:x P:x P:z P:x P:x P:z P:z P:x P:x P:x P:z P:z P:x P:x P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">77 99 82 57 79 24 86 51 95 82 57 75 58 91 50 90 63 72 55 95 51 92 23 53 77 99 80 48 85 86 94 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.365</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">506</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.98 6.69 5.68 5.00 5.00 2.50 2.49 2.43 2.28 2.27 2.25 2.07 2.06 1.90 1.90 1.86 1.85 1.82 1.81 1.75 1.58 1.57 1.49 1.35 1.35 1.34 1.11 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:z P:y P:y P:x P:x P:z P:x P:z P:z P:x P:x P:y P:y P:y P:x P:y P:x P:x P:x P:x P:z P:x P:x P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">30 26 28 71 49 33 66 40 22 44 69 62 29 34 67 69 49 44 71 26 44 69 38 46 52 28 31 64 22</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">-8.363</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">507</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">19.13 5.78 4.30 4.26 3.99 3.95 3.94 3.00 2.64 2.43 2.40 2.20 2.17 1.70 1.70 1.65 1.63 1.57 1.52 1.37 1.32 1.26 1.19 1.17 1.14 1.09 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:z P:z D:xy P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:x P:z P:x P:z P:z P:z P:x P:x P:x P:x P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">21 96 83 59 102 56 81 59 83 88 78 51 95 82 74 57 88 76 78 91 75 59 91 75 51 95 74 83 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">508</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.84 5.73 4.96 4.76 4.50 4.05 3.95 3.35 3.24 3.07 2.89 2.13 2.11 1.88 1.87 1.82 1.75 1.70 1.68 1.65 1.59 1.54 1.51 1.45 1.14 1.06 1.05</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:z P:y P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:z P:x P:x P:z P:x P:x P:x P:x D:z2 P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="27">79 24 83 96 59 83 59 94 87 99 77 75 91 63 58 73 84 53 93 80 89 72 90 103 93 86 102</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.327</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.77 4.55 4.39 3.92 3.58 3.53 3.11 2.92 2.85 2.69 2.31 2.31 2.26 2.20 2.20 2.16 2.15 2.00 1.98 1.71 1.67 1.39 1.37 1.35 1.33 1.30 1.28 1.22</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:x P:z P:z P:z P:y P:y P:z P:z P:z P:x P:z P:x P:y P:y P:x P:x P:z P:z P:y P:y P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">85 74 76 86 82 57 85 81 56 73 24 79 56 23 81 74 76 53 80 72 90 55 50 80 53 21 79 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.319</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">14.60 14.59 10.44 10.39 6.42 6.42 2.90 2.86 2.22 2.18 1.70 1.69 1.64 1.62 1.47 1.44 1.25 1.21 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">70 47 34 67 32 65 71 49 67 34 44 69 49 71 65 32 67 34 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.316</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.94 7.12 5.00 5.00 3.97 3.94 2.82 2.48 2.46 2.41 2.36 2.27 2.27 2.04 2.02 1.90 1.86 1.44 1.43 1.43 1.35 1.34 1.23 1.23 1.19 1.17 1.09 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:z P:y P:y P:y P:y P:x P:y P:y P:x P:x P:z P:z P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">28 30 69 44 31 64 30 65 32 69 44 64 31 67 34 70 47 60 25 37 97 35 36 98 44 69 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.304</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.54 8.46 5.02 5.00 4.45 2.62 2.58 2.57 2.55 2.44 2.40 2.20 2.07 2.04 1.80 1.79 1.54 1.54 1.25 1.23 1.23 1.17 1.16 1.14 1.14 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:x P:x P:y P:y P:z P:y P:y P:y P:y P:y P:y P:x P:x P:x P:z P:z P:x P:x P:z P:z P:z P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">47 70 31 64 30 34 67 32 65 29 62 22 36 98 64 31 44 69 40 41 45 40 49 26 71 38</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">-8.273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">513</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.76 3.91 3.86 3.07 3.02 2.73 2.62 2.55 2.52 2.36 2.32 2.28 2.25 2.25 2.22 2.20 2.14 1.85 1.79 1.46 1.43 1.40 1.32 1.31 1.24 1.24 1.23 1.19 1.17 1.16 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:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:y P:x P:x P:x P:y P:z P:z P:z P:z P:y P:x P:y P:x P:y P:y P:x P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">21 90 72 24 79 95 51 92 48 82 79 57 56 51 95 24 81 91 75 72 90 39 48 99 92 77 53 59 80 83 102</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.32 6.29 4.30 4.27 3.73 3.71 3.63 3.34 3.33 2.73 2.70 2.32 2.29 2.13 2.12 1.93 1.93 1.90 1.89 1.57 1.57 1.56 1.55 1.16 1.16 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:x P:x P:x P:x P:y P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">97 35 71 49 36 98 40 52 46 45 41 60 25 71 49 64 31 43 54 31 64 60 25 42 68 35 97 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">-8.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.92 5.58 5.54 5.22 4.32 3.85 3.39 2.97 2.54 2.32 2.00 1.85 1.82 1.81 1.79 1.79 1.78 1.74 1.68 1.68 1.67 1.61 1.26 1.20 1.19 1.10 1.09 1.05 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:z P:z P:z P:x P:z D:z2 P:x P:y P:y P:x P:x P:z P:y D:x2-y2 P:x P:x P:x P:y D:z2 P:x P:x D:x2-y2 P:z P:y P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 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">93 59 83 93 73 85 103 86 51 95 24 79 86 81 102 63 85 58 56 102 77 99 103 75 84 89 91 83 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O Tc O O O O O O O Tc O O O O Tc O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.72 8.33 7.35 7.13 7.04 6.86 4.32 4.14 3.10 2.92 2.91 2.61 2.53 2.31 2.22 2.18 2.13 1.44 1.42 1.38 1.35 1.35 1.33 1.21 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 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:z P:y P:y P:z P:z P:z P:x P:x P:y P:z P:z P:y P:x P:y P:x P:x P:x P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">69 44 60 60 25 25 69 44 71 49 38 70 47 65 98 32 36 43 54 33 66 68 42 46 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.51 6.29 5.89 5.40 5.06 4.67 3.73 3.07 2.62 2.54 2.44 2.11 2.05 2.02 1.96 1.93 1.91 1.89 1.88 1.80 1.65 1.54 1.38 1.32 1.32 1.31 1.31 1.30 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:z P:z P:z P:x P:x P:x P:x P:x P:z P:x P:z P:z P:x P:x P:y P:y P:y P:z P:y P:x P:x P:x P:x P:x P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">30 25 60 37 44 69 26 37 49 30 71 38 44 32 65 42 68 32 69 65 36 98 52 47 46 64 70 31 61 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.199</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">6.83 6.35 4.76 4.72 3.37 3.31 3.28 2.97 2.95 2.50 2.47 2.23 2.21 2.07 2.04 2.01 1.98 1.88 1.40 1.40 1.30 1.29 1.28 1.28 1.27 1.26 1.12 1.12 1.08 1.08 1.06 1.06 1.06 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:x P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:z P:y P:z P:y P:x P:z P:x P:x P:x P:y P:x P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">37 37 25 60 34 67 26 49 71 68 42 47 70 68 42 71 49 28 54 43 41 44 45 67 69 34 42 68 61 54 27 71 43 49 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.158</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.50 6.22 4.89 4.77 4.37 3.65 3.65 3.36 2.75 2.72 2.70 2.68 2.08 2.05 2.02 2.01 1.83 1.83 1.83 1.80 1.46 1.35 1.35 1.35 1.33 1.32 1.23 1.11 1.11 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:x P:x P:x P:x P:x P:z P:y P:y P:y P:y P:x P:x P:x P:x P:x P:z P:x P:z P:z P:x P:z P:x P:x P:z P:x P:z P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">27 61 42 68 26 71 49 30 64 60 31 25 41 45 66 33 43 66 54 33 28 37 67 67 34 34 31 60 64 25 44 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">-8.155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.78 8.50 5.80 5.43 3.08 2.96 2.73 2.70 2.43 2.41 2.13 2.06 1.98 1.93 1.92 1.91 1.89 1.87 1.72 1.70 1.66 1.54 1.51 1.47 1.45</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:x P:y P:x P:y P:x P:x P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">63 58 94 87 55 50 24 79 53 80 55 50 57 82 87 92 94 48 79 24 23 51 89 95 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.154</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">521</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.17 10.07 7.46 7.41 4.08 4.00 3.85 3.76 3.32 3.30 3.12 3.09 2.63 1.82 1.79 1.78 1.75 1.43 1.41</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:x P:x P:y P:y P:x P:x P:z P:z P:z P:z P:y P:x P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">61 27 64 31 61 27 68 42 52 46 31 64 38 35 97 25 60 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">522</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.65 5.40 5.35 4.73 4.69 3.06 3.03 3.02 2.83 2.22 2.19 1.72 1.72 1.71 1.62 1.62 1.39 1.34 1.20 1.17 1.16 1.14 1.13 1.11 1.09 1.06 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:x P:z P:z P:z P:x P:x P:x P:y P:y P:y P:z P:z P:y D:z2 P:y P:y P:y P:x P:z P:z P:y P:x P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="29">93 56 81 81 56 73 78 88 21 48 92 88 76 74 78 102 59 83 99 85 61 27 77 93 89 50 84 21 55</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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.72 4.71 4.55 4.28 4.24 3.49 3.47 2.99 2.98 2.96 2.67 2.30 2.28 2.16 2.16 1.87 1.87 1.69 1.66 1.62 1.62 1.40 1.40 1.39 1.38 1.34 1.04 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:z P:z P:x P:x P:x P:z P:x P:z P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:z P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">62 29 28 61 27 97 35 64 30 31 37 64 31 29 62 36 98 42 68 65 32 41 45 44 69 28 33 66 32 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">-8.114</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.69 8.47 4.41 4.35 4.25 4.20 4.15 4.11 2.67 2.67 2.35 2.35 2.23 2.21 2.17 2.13 2.07 2.02 2.01 1.66 1.59 1.21 1.18 1.14 1.12 1.11 1.09 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:y P:x P:y P:y P:x P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">77 99 78 88 24 79 63 58 63 58 77 99 80 53 90 72 84 89 96 92 48 81 21 83 56 78 59 81 56</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">-8.107</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">17.25 5.69 5.65 5.54 5.49 3.19 3.16 1.68 1.67 1.66 1.65 1.65 1.64 1.47 1.46 1.37 1.34 1.34 1.33 1.32 1.31 1.31 1.30 1.28 1.27 1.17 1.17 1.09 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:y P:z P:z P:z P:z P:z P:z P:x P:z P:x P:z P:y P:y P:y P:y P:z P:z P:x P:x P:z P:z P:y P:y P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">37 42 68 68 42 61 27 36 98 43 28 54 26 25 60 54 43 41 45 33 66 70 47 27 61 97 35 30 66 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">526</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.10 6.09 5.73 5.15 4.95 4.36 4.26 3.04 2.56 2.55 2.50 2.44 2.11 1.79 1.45 1.34 1.33 1.33 1.29 1.24 1.14 1.13 1.07 1.07 1.07 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:y P:y P:z P:z P:z P:x P:x P:y P:y P:z P:x P:y P:y P:x P:x P:x P:x P:y P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">93 58 63 87 94 87 94 86 48 92 48 92 85 86 80 53 95 51 63 58 50 50 55 55 80 53</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">-8.056</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.68 7.64 6.98 6.95 5.56 5.52 5.14 5.12 3.34 3.28 2.48 2.45 2.45 2.42 2.41 2.36 1.51 1.50 1.26 1.22 1.22 1.22 1.21 1.21 1.09 1.05 1.04 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:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:y P:y P:z P:z P:z P:y P:y P:z P:y P:y P:z P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">45 41 98 36 60 25 27 61 25 60 36 35 97 98 41 45 43 54 61 29 67 27 34 62 28 32 65 66 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">-8.002</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">12.01 10.32 6.96 6.92 3.76 3.70 3.63 3.50 3.37 2.98 2.18 2.17 2.15 1.63 1.59 1.55 1.47 1.13 1.11 1.06 1.05 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:z P:y P:y P:y P:y P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:z P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">85 93 48 92 50 55 93 92 48 73 58 39 63 75 91 55 50 57 76 82 74 53 80</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">-7.942</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.70 5.12 4.37 4.14 3.66 3.28 3.02 2.96 2.91 2.82 2.78 2.71 2.54 2.51 2.46 2.25 2.21 2.09 2.03 1.92 1.91 1.84 1.61 1.41 1.40 1.25 1.11 1.11 1.08 1.07 1.07 1.06 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:z P:z P:z P:x P:x P:x P:x P:y P:y P:x P:z P:z P:y P:x P:x P:y P:z P:y P:z P:x P:y P:y P:y P:x P:x P:x P:x P:z P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">85 86 73 63 58 89 84 88 78 59 59 83 53 85 83 80 96 50 23 73 55 24 79 99 77 23 96 88 21 78 53 55 50</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">-7.931</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">530</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">6.55 6.35 4.74 4.60 3.04 2.92 2.89 2.77 2.73 2.71 2.57 2.38 2.31 2.20 2.18 2.14 2.12 2.09 2.07 2.07 2.05 1.86 1.83 1.69 1.66 1.64 1.63 1.62 1.61 1.58 1.53 1.25 1.11 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:x P:y P:y P:y P:x P:x P:y P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:y P:x P:y P:y P:x P:y P:x P:z P:x P:y P:z P:y P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">58 63 53 80 94 72 55 87 90 50 83 59 92 48 82 48 57 51 92 95 89 84 79 84 81 24 89 76 56 55 74 50 82 80 57 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.900</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">8.10 6.98 6.88 5.96 5.11 4.34 3.65 3.63 3.56 3.25 2.01 1.77 1.76 1.76 1.66 1.63 1.58 1.58 1.53 1.49 1.41 1.39 1.38 1.38 1.37 1.37 1.33 1.29 1.22 1.22 1.17 1.09 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:y P:y P:y P:y P:x P:y P:x P:z P:z P:x P:z P:y P:x P:x P:x P:z P:x P:z P:x P:z P:z P:y P:z P:x P:x P:x P:x P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">94 87 53 80 23 63 96 58 55 50 82 89 89 57 83 59 94 48 87 92 84 48 55 74 72 51 90 95 92 84 76 50 53</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">-7.893</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.99 7.63 7.11 6.05 4.86 4.63 4.01 3.69 3.55 3.51 3.17 3.02 2.95 2.24 1.84 1.77 1.75 1.61 1.49 1.33 1.29 1.26 1.22 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:z P:y P:y P:y P:y P:x P:y P:z P:y P:z P:x P:y P:z P:x P:z P:x P:z P:z P:x P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">84 73 89 80 87 53 58 94 84 50 89 63 55 85 79 76 24 74 39 55 81 50 56 50</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">-7.854</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">47.37 5.29 5.23 4.56 4.50 2.96 2.95 2.52 2.51 1.20 1.20 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">P:y P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 12.103</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">22 43 54 54 43 36 98 42 68 69 44 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.848</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">534</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.24 9.26 9.21 6.01 5.97 4.11 2.95 2.82 2.24 1.95 1.94 1.93 1.90 1.66 1.65 1.64 1.64 1.51 1.38 1.16 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">P:z P:z P:z P:y P:y P:z P:x P:x P:x P:z P:z P:z P:z P:z P:y P:z P:y P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">86 76 74 88 78 39 78 88 85 87 24 79 94 63 92 58 48 86 93 73 50 55</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">-7.808</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">5.97 3.10 3.08 3.01 2.98 2.59 2.59 2.43 2.41 2.38 2.36 2.30 2.27 2.19 2.16 2.16 2.14 2.14 2.10 2.09 2.03 1.88 1.84 1.74 1.73 1.70 1.69 1.67 1.66 1.50 1.50 1.43 1.43 1.40 1.38 1.23 1.22</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:y P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:x P:z P:x P:z P:z P:z P:x P:x P:z P:z P:x P:z P:x P:z P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">22 66 33 54 43 35 97 65 32 54 43 43 54 68 29 42 36 98 62 65 32 34 67 66 97 33 35 98 36 45 41 70 47 62 29 33 66</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">-7.805</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.85 6.59 6.55 5.15 3.58 2.53 2.21 2.09 1.94 1.65 1.63 1.57 1.53 1.45 1.39 1.38 1.27 1.22 1.10 1.09 1.09 1.08 1.08 1.05 1.04 1.01 1.01 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:z P:x P:z P:x P:z P:x P:z P:z P:x P:x P:y P:y P:z P:y P:y P:y P:y P:y P:x P:x P:y P:x P:x P:x P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">93 86 86 73 85 93 73 88 78 24 79 88 78 96 92 48 89 84 87 72 89 94 58 63 90 77 74 99 39</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">-7.802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.57 8.42 5.13 5.03 5.01 4.88 4.58 3.34 3.18 3.12 3.11 3.08 2.94 2.71 2.67 2.47 2.45 2.25 2.10 2.06 1.99 1.49 1.45 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">P:z P:z P:x P:x P:x P:x P:y P:z P:y P:y P:z P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">74 76 78 88 83 59 96 78 83 59 88 84 89 72 90 92 48 76 74 81 56 99 77 89 84</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">-7.796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">538</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.05 4.68 4.26 4.23 3.99 3.97 3.90 3.88 3.87 3.87 2.94 2.93 2.85 2.84 2.83 2.82 2.53 2.51 2.12 2.00 1.67 1.66 1.16 1.15 1.12 1.07 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:x P:x P:z P:z P:x P:x P:z P:x P:x P:z P:x P:x P:z P:x P:x P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">37 30 62 29 32 65 33 67 34 66 62 29 67 33 66 34 32 65 26 28 61 27 98 36 93 60 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.765</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">539</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.82 6.40 5.50 4.57 4.49 3.86 3.85 3.65 3.13 2.84 2.78 2.69 2.44 2.42 1.59 1.58 1.33 1.23 1.22 1.21 1.20 1.18 1.18 1.18 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">P:z P:z P:z P:x P:x P:x P:x P:z P:x P:x P:x P:y P:z P:y P:x P:x P:x P:z P:x P:x P:z P:x P:x P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">91 75 93 55 50 51 95 73 86 94 87 91 39 75 99 77 23 48 79 24 92 85 83 59 73 48 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.742</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">540</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">11.77 5.04 5.02 4.55 4.47 3.53 3.49 3.46 2.60 2.53 2.22 2.19 2.11 2.07 1.96 1.71 1.58 1.54 1.52 1.49 1.40 1.32 1.28 1.27 1.23 1.19 1.14 1.11 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:z P:z P:z P:z P:x P:z P:x P:x P:x P:y P:y P:x P:x P:z P:z P:x P:z P:z P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">86 78 88 76 74 56 85 81 88 78 78 88 77 99 39 73 85 77 99 57 82 59 83 95 51 57 82 93 92 48 21</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">-7.719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">541</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">20.45 10.95 10.48 7.44 6.06 5.32 4.92 2.96 2.65 2.42 2.29 1.66 1.41 1.15 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:x P:y P:y P:x P:z P:z P:x P:z P:x P:y P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">91 89 91 75 55 89 75 50 55 84 53 63 23 94 74 76</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">-7.717</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">17.85 9.64 6.07 4.07 3.59 3.38 3.29 2.42 2.29 2.07 1.73 1.54 1.52 1.48 1.43 1.40 1.39 1.38 1.34 1.34 1.33 1.27 1.27 1.24 1.22 1.15 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:x P:z P:z P:y P:x P:x P:y P:z P:z P:x P:x P:y P:z P:z P:x P:z P:y P:y P:x P:x P:z P:x P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">75 84 84 73 75 93 50 80 50 91 81 56 59 58 79 79 89 83 84 24 80 74 83 87 86 89 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.715</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">13.70 13.59 9.78 9.74 9.71 8.33 8.27 4.94 1.37 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:x P:x P:y P:y P:x P:y P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">26 28 60 25 37 27 61 30 25 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.673</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">544</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.18 6.06 5.59 5.33 3.81 3.61 3.59 3.51 3.46 3.37 3.23 2.67 2.58 2.31 2.31 2.30 2.29 1.92 1.84 1.64 1.64 1.51 1.49 1.43 1.41 1.34 1.27 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">74 76 82 57 75 91 75 91 21 83 59 74 76 83 59 57 82 51 95 56 81 80 87 53 94 86 93 77 99</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">-7.657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">10.43 10.41 4.90 4.89 4.07 4.06 3.97 3.92 3.26 3.25 2.58 2.55 2.54 2.54 2.53 2.51 2.51 2.45 2.43 2.05 2.04 1.53 1.52 1.52 1.47 1.45 1.44 1.43 1.43 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 P:y P:y P:y P:y P:y P:z P:z P:z P:z P:y P:z P:z P:z P:z P:y P:y P:z P:z P:x P:x P:x P:x P:y P:z P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">61 27 25 60 97 35 61 27 34 67 30 25 62 29 60 98 36 66 33 67 34 66 33 28 97 36 37 98 35 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">546</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.39 7.37 6.19 6.19 6.19 6.17 4.92 4.90 3.73 3.72 3.41 3.40 3.00 2.98 2.71 2.68 2.15 1.50 1.50 1.28 1.26 1.24 1.24 1.14 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">45 41 32 29 65 62 34 67 43 54 66 33 36 98 97 35 22 65 32 27 61 29 62 41 45 37</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">-7.627</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">547</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">13.84 3.27 3.04 2.28 2.11 2.09 1.98 1.85 1.84 1.83 1.82 1.81 1.76 1.74 1.72 1.72 1.71 1.69 1.49 1.49 1.45 1.36 1.30 1.27 1.24 1.16 1.12 1.06 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:z P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:z P:x P:x P:z P:z P:x P:x P:z P:z P:x 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="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">39 28 30 95 51 92 48 98 36 35 97 73 86 55 41 45 50 37 54 43 57 82 30 95 51 35 97 84 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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">548</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.13 4.19 3.20 3.18 3.06 3.04 3.04 3.02 2.95 2.95 2.37 2.35 1.90 1.88 1.66 1.65 1.55 1.50 1.45 1.44 1.42 1.38 1.29 1.22 1.21 1.20 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:x P:y P:y P:z P:x P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">39 28 30 37 97 35 41 45 36 98 54 43 35 97 43 54 30 95 98 36 37 51 92 48 45 41 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.580</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">549</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">37.29 8.01 7.86 3.91 3.90 3.89 3.81 3.17 3.12 2.49 2.45 1.58 1.57 1.41 1.38 1.26 1.23 1.18 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:x P:y P:x P:x P:y P:x P:x P:y P:y P:y P:y P:z P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">21 56 81 81 88 78 56 59 83 83 59 76 74 88 78 84 89 91 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">550</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">5.90 5.85 3.05 3.03 2.82 2.77 2.74 2.72 2.69 2.65 2.61 2.55 2.39 2.33 2.18 2.12 2.08 2.06 1.89 1.88 1.77 1.74 1.66 1.65 1.34 1.34 1.27 1.27 1.22 1.21 1.20 1.18 1.17 1.14 1.07 1.07 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:y P:x P:y P:x P:x P:y P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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">51 95 82 57 24 79 87 94 95 51 79 24 56 81 24 79 59 83 58 63 81 56 87 94 76 74 77 99 82 82 57 81 57 56 53 80 59 83</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">-7.378</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">551</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">40.55 4.09 4.04 3.37 3.26 3.25 3.22 3.04 2.27 2.18 1.92 1.80 1.74 1.59 1.35 1.34 1.34 1.26 1.15 1.14 1.14 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:x P:y D:xy P:y P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">39 95 51 82 103 51 57 95 48 92 57 82 87 99 94 77 24 83 59 80 79 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O Tc O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.370</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">552</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.80 4.76 4.26 4.26 4.18 4.17 3.64 3.62 3.46 3.43 3.31 3.26 3.16 3.15 2.75 2.73 2.64 2.63 2.40 2.36 2.30 2.28 2.00 1.95 1.94 1.92 1.65 1.62 1.31 1.29 1.20 1.19 1.06 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:x P:x P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">97 35 29 62 62 29 33 66 33 66 43 54 67 34 32 65 45 41 97 35 67 34 45 41 32 65 36 98 36 98 54 43 41 62 45 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">553</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">12.67 12.66 10.43 9.85 5.14 4.99 3.29 3.29 2.06 1.47 1.43 1.22 1.17 1.14 1.10 1.09 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">P:y P:y P:x P:x P:x P:x P:y P:y P:z P:y P:y P:z P:x P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">61 27 30 37 28 26 60 25 30 35 97 37 29 62 66 29 33 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">554</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.11 6.09 5.95 5.33 4.65 4.19 3.93 3.79 3.58 3.56 3.28 3.18 2.86 2.78 2.75 2.75 2.73 2.58 2.38 2.31 2.15 1.90 1.89 1.88 1.51 1.47 1.44 1.39 1.35 1.26 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:x P:x P:x P:x P:x P:z P:x P:z P:z P:z P:z P:x P:x P:z P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">39 53 85 80 94 86 87 77 73 99 53 80 79 82 57 94 24 87 77 91 75 79 93 99 59 24 51 83 95 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">555</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">12.39 5.31 5.19 5.01 4.93 4.82 4.78 4.05 4.00 3.96 3.79 3.79 3.71 2.71 2.45 2.26 2.07 1.71 1.67 1.57 1.56</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:x P:y P:x P:y P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">39 24 79 99 81 77 56 80 87 59 83 94 53 51 95 82 57 95 57 82 51</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">-7.213</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">556</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.07 5.82 5.46 5.44 4.94 4.85 4.30 4.12 4.02 3.94 3.81 3.62 2.49 2.14 2.07 2.04 1.88 1.88 1.87 1.86 1.85 1.67 1.61 1.55 1.44 1.26 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:y P:y P:y P:z P:y P:y P:y P:y P:y P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">85 93 59 83 82 57 51 95 56 81 73 86 73 56 83 51 86 59 81 95 82 57 93 39 85 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.201</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">557</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">15.94 15.28 14.65 11.03 10.95 6.21 5.80 4.90 1.03</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">P:y P:y P:x P:x P:x P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">76 74 86 93 73 91 75 85 93</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">-7.189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">558</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.96 9.49 8.41 7.68 4.03 4.01 3.61 3.61 3.51 3.51 3.28 3.23 3.00 2.99 2.98 2.95 2.36 2.16 1.54 1.50</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">75 91 74 76 75 91 24 79 94 87 76 74 99 77 53 80 73 85 86 93</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">-6.988</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">559</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.12 6.07 4.49 4.48 3.87 3.83 3.71 3.67 3.44 3.42 3.42 3.41 3.39 3.37 3.36 3.33 2.33 2.32 1.94 1.93 1.93 1.91 1.88 1.82 1.72 1.70 1.70 1.68 1.64 1.64 1.42 1.38</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:z P:y P:y P:x P:x P:z P:y P:y P:z P:z P:x P:z P:x P:z P:z P:z P:x P:x P:z P:y P:y P:z P:y P:y P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">80 53 77 99 56 81 87 94 80 83 59 53 59 77 83 99 79 24 87 79 24 94 82 57 81 51 95 56 57 82 83 59</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">-6.859</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">560</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">18.30 9.68 9.56 9.29 5.57 5.14 5.12 2.67 2.10 2.07 1.60 1.59 1.39 1.38 1.23 1.22 1.13 1.11 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">P:x P:y P:y P:x P:x P:y P:y P:x P:z P:z P:y P:y P:z P:z P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">73 75 91 85 86 76 74 93 91 75 83 59 59 83 80 53 86 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">561</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">44.46 15.85 2.58 2.26 2.26 2.24 2.23 2.06 1.54 1.52 1.33 1.32 1.12 1.11 1.09 1.03 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">D:z2 D:x2-y2 P:x P:y P:y P:y P:y P:x P:z P:z D:xy D:xy D:xy D:xy D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">103 103 85 82 51 57 95 93 57 82 9 19 12 7 103 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc O O O O O O O O W W W W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.992</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">562</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">36.06 13.71 3.14 3.00 2.99 2.48 2.48 2.25 2.12 2.12 1.56 1.51 1.51 1.05 1.04 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 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:z2 D:x2-y2 P:x D:xy D:xy D:xy D:xy P:x D:z2 D:z2 D:xz D:yz D:yz D:xz D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">100 100 28 4 17 15 2 37 1 14 100 4 17 2 15 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc O W W W W O W W Tc W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">563</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">28.08 11.04 3.84 3.74 3.70 3.22 3.17 2.80 2.76 2.76 2.12 1.85 1.82 1.40 1.35 1.28 1.11 1.10 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">D:z2 D:x2-y2 P:x D:xy D:xy D:z2 D:z2 D:xy D:xy P:x D:xz D:yz D:yz D:xz D:xz P:z D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">102 102 73 8 13 6 11 10 20 86 102 8 13 10 20 86 6 11 13 8 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc O W W W W W W O Tc W 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">-2.938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">564</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.60 8.57 4.22 4.14 3.77 3.72 3.41 3.40 3.08 3.07 2.31 2.29 2.18 2.15 1.84 1.83 1.75 1.71 1.41 1.41 1.37 1.36 1.20 1.16 1.10 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:xy D:xy D:xz D:xz D:xy D:xy P:y P:y D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:y P:y D:z2 D:z2 P:x P:x D:x2-y2 D:x2-y2 P:z P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">20 10 10 20 13 8 83 59 11 6 10 20 12 7 56 81 13 8 94 87 11 6 59 83 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O W W W W W W O O W W O O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.543</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">565</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.79 7.73 7.72 7.71 3.30 3.25 3.01 2.99 2.63 2.63 2.14 2.13 1.94 1.93 1.87 1.86 1.86 1.85 1.77 1.76 1.21 1.21 1.14 1.13 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:xy D:xy D:xy D:xz D:xz D:xz D:xz P:y P:y P:y P:y D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:xy D:xy P:z P:z P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">18 2 15 5 2 15 5 18 98 36 45 41 17 4 2 15 5 18 3 16 36 98 34 67 41 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O O O W W W W W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.292</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">566</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">12.59 8.26 8.18 4.24 4.17 3.74 3.74 3.48 3.45 3.22 3.16 2.19 2.00 1.99 1.83 1.70 1.68 1.55 1.54 1.27 1.25 1.17 1.16 1.16 1.15 1.08 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:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:x D:x2-y2 D:x2-y2 D:x2-y2 P:x D:xz D:xz D:z2 P:x P:x P:x P:x D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 0.80 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">101 14 1 18 5 3 16 26 101 14 1 30 18 5 100 65 32 66 33 3 16 16 18 5 3 101 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc W W W W W W O Tc W W O W W Tc O O O O W W W W W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">567</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">12.90 12.78 5.63 5.61 2.72 2.71 2.07 2.07 1.77 1.75 1.67 1.65 1.58 1.57 1.28 1.27 1.26 1.25 1.24 1.23 1.18 1.18 1.13 1.11 1.10 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">D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y P:y P:y D:xz D:xz D:xy D:xy D:xy P:z P:z D:xy P:y P:y D:xy D:xy P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 14 1 14 5 18 60 25 27 61 5 18 15 2 3 25 60 16 45 41 17 4 32 65 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O O O W W W W W O O W O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">568</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.66 8.58 6.05 6.01 2.92 2.86 2.51 2.49 2.41 2.40 2.12 2.09 2.06 2.04 2.02 2.00 1.97 1.95 1.76 1.76 1.28 1.28 1.27 1.23 1.14 1.14 1.06 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xy D:xy D:xy D:yz D:yz P:y P:y P:y P:y D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:yz D:yz D:xy D:xy P:z D:xz P:z D:xz P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">3 16 17 4 3 16 35 97 43 54 16 3 17 4 18 5 4 17 2 15 97 16 35 3 66 33 29 62 29 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W O O O O W W W W W W W W W W 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">-1.971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">569</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="7">42.36 13.37 8.31 3.42 1.99 1.74 1.25</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">D:xz P:z D:xz D:z2 D:z2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-6.750 -10.027 -6.750 -6.750 -6.750 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">1.00 1.33 1.00 1.00 1.00 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">103 39 101 103 101 101 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">Tc O Tc Tc Tc Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">570</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.17 10.15 5.40 5.33 4.36 4.36 3.73 3.66 2.69 2.66 2.37 2.26 1.89 1.81 1.81 1.80 1.68 1.64 1.62 1.57 1.55 1.54 1.47 1.43 1.18 1.18 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy D:xz D:xz P:y P:y P:y P:x P:y P:x D:z2 P:y P:y D:z2 P:y P:y D:z2 D:z2 P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">6 11 7 12 11 6 19 9 12 7 82 57 51 53 95 80 9 76 74 19 91 75 12 7 99 77 53 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O O O O O O W O O W O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">571</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.35 6.32 5.98 5.93 3.26 3.26 2.77 2.74 2.40 2.36 2.31 2.28 2.19 2.15 1.95 1.94 1.74 1.69 1.51 1.48 1.34 1.30 1.18 1.17 1.16 1.14 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:xy D:xy D:xy D:xy P:y P:y D:z2 D:z2 D:xy D:xy D:yz D:yz P:y P:y D:yz D:yz D:z2 D:z2 D:xz D:xz P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 8 9 19 20 10 56 81 13 8 12 7 8 13 51 95 9 19 19 9 10 20 77 99 81 56 59 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O O W W W W W W O O W W W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">572</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">25.10 7.75 7.12 4.94 3.93 3.31 3.00 2.77 2.53 2.18 2.02 1.68 1.67 1.65 1.53 1.45 1.26 1.15 1.13 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:xz D:xz D:z2 D:xz D:z2 D:x2-y2 P:x D:xz D:xy P:x P:z D:z2 D:xz D:x2-y2 D:xy P:x D:xy P:z D:xz D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 0.80 1.00 0.80 0.80 1.33 0.80 1.00 1.33 1.33 0.80 0.80 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="22">101 100 101 3 103 4 3 31 18 100 71 39 18 15 4 18 42 103 31 3 15 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc W Tc W W O W Tc O O W W 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">-1.768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">573</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">21.52 9.12 8.09 4.99 4.87 3.42 2.96 2.68 2.52 2.11 1.96 1.89 1.73 1.70 1.60 1.36 1.31 1.13 1.11 1.10 1.08 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">D:xy D:xz D:xz D:xz D:z2 D:z2 D:x2-y2 P:x D:xz P:z P:x D:xy D:xz D:z2 D:x2-y2 D:xy P:x D:z2 P:z D:z2 D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -10.027 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.00 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.00 0.80 0.80 0.80 0.80 1.33 1.00 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">101 100 101 103 16 17 16 64 5 39 49 100 2 5 17 5 68 100 64 2 16 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc Tc W W W O W O O Tc W W 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">-1.745</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">574</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.55 8.55 8.37 8.33 4.78 4.76 4.00 3.97 3.63 3.63 2.00 1.97 1.93 1.90 1.72 1.69 1.68 1.67 1.30 1.28 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y P:x P:x P:z P:z D:xy D:xy D:yz D:yz P:y P:y D:xz D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">18 5 1 14 5 18 71 49 70 47 49 71 4 17 1 14 42 68 5 18 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W O O O O O O W W W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.715</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">575</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.31 7.30 6.66 6.65 3.76 3.73 3.53 3.53 3.27 3.25 2.65 2.62 2.40 2.40 2.22 2.18 1.85 1.83 1.67 1.66 1.65 1.65 1.27 1.26 1.19 1.15 1.14 1.13</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:z2 D:z2 D:x2-y2 D:x2-y2 P:z P:z P:y P:y D:xy D:xy P:y P:y D:xy D:xy D:z2 D:z2 P:z D:yz P:z D:yz D:xz D:xz D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 14 15 2 15 2 47 70 69 44 14 1 31 64 16 3 16 3 44 3 69 16 15 2 14 1 70 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O O O O W W O O W W W W O W O W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.599</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">576</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.25 7.43 7.41 6.12 4.78 4.48 4.45 3.62 1.94 1.93 1.93 1.61 1.61 1.51 1.51 1.37 1.35 1.33 1.33 1.23 1.22 1.21 1.19 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">D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x P:x D:xy D:xy P:x P:x D:xy D:xy D:yz D:yz D:xz D:xz D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.00 0.80 0.80 1.00 1.00 0.80 0.80 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">101 1 14 100 100 1 14 101 34 26 67 2 15 29 62 18 5 18 5 2 15 5 18 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Tc W W Tc Tc W W Tc O O O W W O O W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">577</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">13.97 13.92 7.34 6.73 6.66 4.97 2.03 2.02 1.88 1.86 1.75 1.36 1.36 1.12 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x P:x P:x D:x2-y2 P:z P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -10.027 -6.750 -10.027 -10.027 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">0.80 0.80 1.00 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">11 6 102 11 6 102 77 99 80 53 103 99 77 100 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">W W Tc W W Tc O O O O Tc O O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">578</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">31.54 21.17 3.95 3.22 1.80 1.79 1.76 1.73 1.32 1.31 1.26 1.13 1.11 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">D:xz D:xz D:z2 D:z2 D:xz D:z2 D:z2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -6.750 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.00 1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">100 101 100 101 103 4 17 100 16 3 101 1 14 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc Tc Tc W W Tc W W Tc W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.544</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">579</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.74 5.73 4.67 4.66 3.74 3.73 2.96 2.86 2.50 2.48 2.42 2.41 2.41 2.27 2.23 2.15 2.13 2.11 1.98 1.63 1.39 1.37 1.22 1.21 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 D:xy D:xy D:xy D:xy D:xz D:xz D:yz D:yz D:xy P:x D:xy D:yz D:yz D:yz D:yz P:x P:x P:x D:z2 D:z2 D:yz D:yz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 17 3 16 15 2 100 101 17 4 5 28 18 15 2 3 16 30 37 26 2 15 5 18 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W Tc Tc W W W O W W W W W O O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">580</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">17.47 17.36 6.53 6.53 1.91 1.90 1.75 1.72 1.60 1.57 1.56 1.55 1.35 1.18 1.16 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xy D:xy P:x P:x D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz P:z D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 4.727 4.727 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.00 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">1 14 47 70 18 5 2 15 2 15 18 5 26 1 14 71 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W O O W W 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">-1.395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">581</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">43.26 7.91 4.56 3.16 2.85 2.84 2.33 2.33 1.80 1.76 1.38 1.38 1.04 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">D:xy D:xy P:y D:xy D:x2-y2 D:x2-y2 D:yz D:yz D:xz D:xz P:x P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.33 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">100 101 22 103 17 4 4 17 15 2 42 68 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc O Tc W W W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">582</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.20 6.16 4.45 4.45 2.71 2.58 2.56 2.52 2.50 2.50 2.27 2.25 1.86 1.78 1.77 1.77 1.76 1.53 1.50 1.49 1.48 1.29 1.28 1.19 1.19 1.18 1.18 1.16 1.14 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xy D:xy D:xy D:xy D:xy D:xy D:yz P:y P:y D:xy D:xy D:yz P:y P:y D:z2 D:z2 D:yz D:yz D:xz D:xz D:yz D:yz D:z2 D:z2 P:y P:y D:xz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">15 2 18 5 100 3 16 100 60 25 4 17 101 27 61 17 4 15 2 4 17 18 5 2 15 98 36 16 3 36 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W Tc W W Tc O O W W Tc O O W W W W W W W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">583</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">40.03 4.40 4.37 3.49 2.17 1.61 1.46 1.45 1.41 1.39 1.19 1.18 1.13 1.13</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:xz D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 0.80 0.80 1.00 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">102 8 13 102 102 101 10 20 13 8 20 10 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc W W Tc Tc Tc W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.327</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">584</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.54 4.51 3.67 3.65 3.07 3.01 2.87 2.80 2.67 2.54 2.53 2.50 2.47 2.43 2.38 2.35 2.30 1.86 1.84 1.57 1.40 1.38 1.30 1.25 1.22 1.21 1.15 1.15 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:yz D:yz D:xy P:y P:y D:z2 D:z2 D:z2 D:xy D:xy D:z2 P:y P:y D:xy P:z P:z D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">17 4 2 15 4 17 3 16 100 68 42 18 16 5 4 17 3 64 31 103 68 42 16 3 15 2 44 69 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W Tc O O W W W W W W O O Tc O O W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.314</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">585</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">15.22 15.09 6.21 6.21 2.91 2.22 2.21 2.16 1.57 1.56 1.30 1.29 1.13 1.13 1.10 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz P:z P:z D:xz D:z2 D:xz D:z2 D:z2 D:z2 D:yz D:yz D:xz D:xz D:z2 D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -6.750 -4.411 -4.411 -4.411 4.727 4.727 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 1.00 0.80 1.00 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">1 14 47 70 101 14 100 1 18 5 1 14 5 18 2 15 49 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O O Tc W Tc W W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.292</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">586</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.57 11.44 4.75 4.71 4.14 4.11 2.56 2.49 2.36 2.32 2.29 2.28 2.28 2.28 1.91 1.88 1.87 1.87 1.30 1.27 1.25 1.25 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy P:x P:x D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:x2-y2 P:y D:x2-y2 P:y D:yz P:y P:y D:yz D:z2 D:z2 D:xy D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 11 63 58 7 12 19 9 19 9 7 48 12 92 9 50 55 19 20 10 8 13 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O W W W W W W W O W O W O O W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">587</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">30.79 10.18 6.33 5.22 2.33 2.13 1.84 1.68 1.16 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:x2-y2 S D:z2 D:xz D:x2-y2 D:z2 D:z2 D:xz D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.750 -5.732 -6.750 -6.750 -6.750 -4.411 -4.411 -6.750 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 2.00 1.00 1.00 1.00 0.80 0.80 1.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">101 101 101 101 103 3 16 102 5 38 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc Tc Tc Tc W W Tc 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">588</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.61 9.37 4.32 4.24 2.98 2.95 2.94 2.89 2.65 2.59 2.13 2.12 2.12 2.10 1.64 1.63 1.61 1.59 1.56 1.49 1.48 1.45 1.39 1.33 1.33 1.29 1.28 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:yz D:yz P:z P:z D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y P:y P:y D:xy D:z2 D:z2 D:yz D:yz D:z2 D:z2 P:y P:y D:xy D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">6 11 63 58 19 9 7 12 9 19 7 12 48 92 55 50 103 11 6 9 19 10 20 88 78 8 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W O O W W W W W W W W O O O O Tc W W W W W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">589</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">30.11 10.29 8.82 3.72 3.61 2.55 2.52 1.64 1.47 1.43 1.42 1.35 1.31 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">D:xy P:y D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 P:x D:yz P:x D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.750 -10.027 -6.750 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.33 1.00 1.00 1.00 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="14">103 39 102 100 101 19 9 13 8 48 9 92 19 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc O Tc Tc Tc 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">-1.202</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">590</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.36 5.36 4.70 4.67 4.11 4.06 3.12 3.09 2.80 2.77 2.58 2.56 2.03 2.02 1.90 1.86 1.81 1.80 1.72 1.69 1.45 1.44 1.32 1.31 1.15 1.15 1.11 1.09 1.09 1.08 1.05 1.02 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:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:xy D:xy P:y P:y D:yz D:yz P:y P:y D:yz D:yz P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z D:xy D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411</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 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 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="33">15 2 5 18 16 3 17 4 4 17 16 3 42 68 4 17 31 64 3 16 44 69 64 31 49 71 69 44 68 42 2 15 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W W W O O W W O O W W O O O O O O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.189</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">591</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">14.74 4.36 4.33 3.81 3.77 2.81 2.72 2.46 2.45 2.44 2.41 1.96 1.96 1.94 1.94 1.91 1.39 1.38 1.36 1.25 1.23 1.12 1.10 1.06 1.04 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz D:xy D:xy D:xy D:xy P:x D:z2 D:xy D:xy D:yz D:yz D:xy D:yz D:yz D:xy P:x D:z2 D:z2 P:x D:yz D:yz D:xz D:xz P:x D:yz D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.80 0.80 0.80 0.80 1.33 1.00 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 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">102 13 8 10 20 73 102 9 19 13 8 12 20 10 7 85 12 7 86 19 9 12 7 93 7 12 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc W W W W O Tc W W W W W W W W O W W O 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">-1.055</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">592</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">45.12 12.86 4.35 3.36 2.14 2.12 1.65 1.63 1.28 1.27 1.10 1.09</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:xy D:xy P:y P:y D:x2-y2 D:x2-y2 D:yz D:yz D:xz D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.750 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">102 103 21 39 13 8 8 13 10 20 78 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc O O W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">593</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">3.96 3.86 3.55 3.50 3.15 3.05 2.74 2.55 2.52 2.51 2.44 2.43 2.43 2.41 2.35 2.34 1.92 1.88 1.88 1.82 1.80 1.71 1.48 1.41 1.19 1.17 1.14 1.13 1.10 1.07 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">D:xz D:xz D:xz D:xz P:x P:x D:xy D:xy P:x D:xy D:x2-y2 P:x D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x D:x2-y2 P:x D:x2-y2 D:x2-y2 P:x P:x P:x P:x D:yz D:yz D:z2 D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -6.750 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">5 18 2 15 49 71 5 18 44 2 18 69 15 5 16 3 17 41 4 45 2 15 36 98 64 31 16 3 5 101 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W O O W W O W W O W W W W W O W O W W O O O O W W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.017</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">594</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">11.23 4.14 4.05 3.19 3.16 3.09 3.04 2.70 2.61 2.53 2.13 2.02 1.91 1.90 1.86 1.83 1.82 1.77 1.62 1.59 1.58 1.57 1.54 1.53 1.50 1.42 1.36 1.12 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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:xy D:xy D:xy D:xy D:z2 D:z2 S P:x P:x D:xz D:xz D:z2 D:xz D:z2 D:z2 D:xz D:z2 D:z2 D:xy D:xy D:z2 D:z2 P:x P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -5.732 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.00 0.80 0.80 0.80 0.80 0.80 0.80 2.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">101 15 2 18 5 15 2 101 69 44 15 2 18 18 5 3 5 16 101 14 1 4 17 98 36 71 49 45 41 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc W W W W W W Tc O O W W W W W W W W Tc W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.988</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">595</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.14 6.10 5.38 3.80 3.74 3.53 3.11 3.11 2.34 2.33 2.24 2.10 1.98 1.70 1.69 1.58 1.56 1.39 1.35 1.32 1.17 1.15 1.14 1.13 1.13 1.12 1.10 1.09 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xy D:xy D:xy D:xy D:yz D:z2 D:z2 P:y P:y D:yz D:xy D:xy P:y P:y D:z2 D:z2 D:xy D:yz D:yz D:xz P:z P:z D:yz D:xz D:yz D:xz D:xy D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.00 0.80 0.80 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="30">7 12 102 20 10 103 13 8 75 91 102 9 19 74 76 19 9 103 9 19 12 57 82 7 7 12 9 13 19 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Tc W W Tc W W O O Tc W W O O W W Tc W W 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">-0.979</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">596</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">17.45 17.35 6.35 6.34 2.02 1.99 1.91 1.86 1.59 1.56 1.34 1.23 1.22 1.18 1.16 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xy D:xy P:x P:x D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz D:xy D:z2 D:xy D:xy D:xy D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 4.727 4.727 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 11 63 58 7 12 12 7 20 10 19 102 9 6 11 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W O O W W W W W W W Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.888</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">597</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">17.32 17.10 6.59 6.58 2.01 1.89 1.65 1.59 1.54 1.52 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:yz D:yz P:z P:z D:z2 D:z2 D:xy D:xy D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">6 11 63 58 11 6 19 9 6 11 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">W 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">-0.852</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">598</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.55 5.54 4.39 4.32 3.74 3.62 3.12 3.07 3.02 2.97 2.78 2.74 2.22 2.20 2.01 1.98 1.52 1.50 1.43 1.40 1.21 1.16 1.12 1.10 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:yz D:z2 D:yz D:z2 P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y P:y P:y P:z P:z D:yz P:z D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">7 12 20 10 8 13 8 13 13 8 88 78 12 7 20 10 50 55 84 89 78 88 9 55 19 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W O O W W W W O O O O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">599</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.77 4.73 4.44 4.39 3.56 3.54 3.43 3.43 3.08 3.05 2.39 2.37 1.86 1.81 1.79 1.79 1.67 1.57 1.57 1.51 1.50 1.46 1.44 1.37 1.36 1.23 1.13 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">D:xy D:xy D:xy D:xy D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:yz D:yz D:yz D:yz D:xy D:xy P:z P:y P:y P:z P:x D:yz D:yz P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">3 16 15 2 5 18 5 18 2 15 18 5 15 2 4 17 26 60 25 28 30 3 16 27 61 26 28 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W 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">-0.750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">600</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">9.09 3.02 2.99 2.97 2.95 2.86 2.84 2.80 2.45 2.34 1.95 1.86 1.83 1.83 1.77 1.75 1.67 1.63 1.35 1.16 1.14 1.12 1.11 1.11 1.10 1.10 1.09 1.09 1.06 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:z2 D:z2 D:x2-y2 D:xy D:xy D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:xy D:x2-y2 D:z2 D:xy D:yz D:yz P:x D:xy D:xy D:xz P:y P:y P:x P:y D:xz P:y D:xz D:xz D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">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 0.80 1.33 0.80 0.80 0.80 1.33 1.33 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="32">102 7 12 102 9 19 6 11 19 9 103 10 12 103 20 7 9 19 85 20 10 10 59 83 93 51 20 95 7 12 19 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc W W Tc W W W W W W Tc W W Tc W W W W O W W W O O 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">-0.738</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">601</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.90 7.87 4.72 4.64 3.68 3.67 3.22 3.19 2.59 2.58 1.92 1.90 1.76 1.76 1.37 1.37 1.36 1.35 1.19 1.19 1.11 1.10 1.09 1.07 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">D:z2 D:z2 D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy P:y P:y D:xy D:xy P:x P:z P:z P:x P:x P:x P:x P:x D:xz D:xz P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 1 17 4 3 16 14 1 15 2 61 27 5 18 66 66 33 33 62 29 34 67 17 4 65 32 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W O O W W 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">-0.717</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">602</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.35 7.27 3.57 3.53 3.40 3.40 2.72 2.66 2.53 2.48 2.39 2.37 2.12 2.07 2.01 2.01 1.75 1.73 1.73 1.65 1.53 1.51 1.46 1.45 1.38 1.37 1.36 1.29 1.19 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 P:y P:y D:xy D:xy P:z P:z D:yz D:yz P:y P:y P:y P:y P:y P:y D:yz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">20 10 19 9 7 12 19 9 20 10 13 8 84 89 13 8 89 84 9 19 48 92 79 24 88 78 8 13 92 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W O O W W O O 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">-0.709</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">603</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.78 7.42 5.54 4.62 4.52 3.52 2.56 2.55 1.69 1.68 1.68 1.66 1.48 1.45 1.42 1.41 1.38 1.36 1.34 1.33 1.29 1.28 1.26 1.23 1.13 1.11 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:x2-y2 D:z2 D:xy D:xy D:x2-y2 D:yz D:yz D:xz P:y D:xz P:y D:yz D:yz P:x P:x D:z2 D:z2 D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.750 -6.750 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 1.00 1.00 0.80 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 0.80 0.80 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="29">101 101 100 4 17 100 4 17 4 43 17 54 15 2 33 66 2 15 2 15 18 5 1 14 1 14 54 43 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc Tc Tc W W Tc W W W O W O W W O O W W W W W 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">-0.518</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">604</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.72 5.44 3.98 2.82 2.74 1.77 1.68 1.55 1.54 1.52 1.46 1.46 1.22 1.14 1.12 1.12 1.11 1.10 1.06 1.02 1.02 1.01 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:xy D:xy D:xz D:z2 D:z2 P:x P:x D:x2-y2 D:x2-y2 D:xy D:xz D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:xz D:yz D:xz D:x2-y2 D:x2-y2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 1.00 0.80 0.80 1.33 1.33 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 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">7 12 101 19 9 55 50 16 3 10 100 20 19 100 9 7 10 12 20 4 17 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W Tc W W O O W W W Tc W W Tc 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">-0.513</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">605</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.24 3.96 3.78 3.76 3.01 2.99 2.31 2.20 2.20 1.85 1.81 1.63 1.33 1.30 1.20 1.20 1.15 1.14 1.08 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">D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:xy D:yz D:yz D:z2 D:z2 D:z2 P:x P:x D:xz D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 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="20">101 100 16 3 4 17 7 100 12 4 17 101 19 9 97 35 3 16 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc W W W W W Tc W W W Tc 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">-0.488</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">606</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.62 9.28 8.39 8.38 3.74 3.72 2.60 2.60 2.21 2.21 2.00 2.00 1.34 1.33 1.12 1.12 1.03 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">D:xy D:xy D:xy D:xy D:z2 D:z2 D:z2 D:z2 P:x P:x D:z2 D:z2 P:x P:x D:z2 D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">100 101 1 14 16 3 17 4 47 70 2 15 35 97 5 18 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc W W W W W W O O 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">-0.478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">607</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.19 4.13 3.63 3.50 3.34 3.24 3.00 2.84 2.24 2.16 2.14 2.04 2.04 2.00 1.93 1.93 1.89 1.87 1.80 1.78 1.77 1.73 1.69 1.68 1.20 1.13 1.13 1.12 1.08 1.08 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:xy D:xy D:xz D:xz P:x P:x D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:z2 P:x D:xy D:z2 P:x P:x D:z2 P:x P:x D:yz P:x D:xz D:xz D:yz D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">12 7 12 7 50 55 20 10 12 9 7 9 19 8 13 20 19 84 10 12 89 82 7 57 48 8 92 9 19 13 103 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W O O W W W W W W W W W W W O W W O O W O O W O W W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.465</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">608</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.50 5.37 5.12 4.89 3.95 3.83 2.99 2.78 2.16 2.03 1.60 1.54 1.50 1.48 1.45 1.44 1.36 1.29 1.22 1.15 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">D:z2 D:z2 D:xy D:xy D:xy D:xy D:xy D:xy D:xz D:xz P:y P:y D:yz D:yz D:yz D:yz D:z2 D:z2 D:xz P:x D:xz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">7 12 10 20 19 9 13 8 7 12 76 74 8 13 19 9 13 8 19 73 9 85 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O O W W W W W W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">609</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.44 7.38 4.16 3.93 3.88 3.71 3.14 2.95 2.89 2.89 2.12 2.04 1.66 1.61 1.55 1.53 1.31 1.26 1.22 1.21 1.13 1.13 1.12 1.09 1.09 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:xy D:xy D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:xz D:xy P:y D:xy P:y P:x P:x P:z P:z P:x D:xz P:x D:xz P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">6 11 8 13 20 10 9 19 11 6 12 7 12 74 7 76 99 77 99 77 80 8 53 13 87 75 94 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W O W O O O O O O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">610</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.31 6.31 2.41 2.36 2.28 2.26 2.26 2.25 2.14 2.13 1.94 1.87 1.74 1.73 1.51 1.50 1.50 1.49 1.49 1.48 1.44 1.43 1.37 1.36 1.31 1.31 1.29 1.29 1.28 1.26 1.20 1.19 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:z2 D:z2 D:xy D:xy D:xy D:xy D:z2 D:z2 D:yz D:yz D:x2-y2 P:z D:z2 D:z2 P:y P:y P:y P:y P:z D:yz D:yz P:x D:yz D:yz P:y P:y D:xy D:xz D:xz D:xy P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027</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 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">5 18 18 5 2 15 2 15 14 1 101 26 17 4 71 67 34 49 37 4 17 26 3 16 42 68 4 5 18 17 49 71 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W Tc O W W O O O O O W W O W 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">-0.373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">611</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.28 9.26 4.17 4.15 3.04 3.04 2.69 2.68 2.62 2.58 1.71 1.67 1.62 1.61 1.60 1.58 1.46 1.45 1.38 1.26 1.26 1.25 1.18 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">D:yz D:yz D:x2-y2 D:x2-y2 D:xz D:xz P:z P:z D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:x P:x P:z P:z D:yz D:xz D:xz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -6.750 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">1 14 2 15 2 15 47 70 5 18 16 3 4 17 69 44 25 60 100 5 18 101 65 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O W W W W W W O O O O Tc W W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">612</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">6.81 3.25 3.25 3.21 3.07 2.67 2.56 1.84 1.83 1.65 1.62 1.53 1.45 1.45 1.44 1.22 1.12 1.07 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:xy D:xy D:xz D:xz D:z2 D:z2 D:yz D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:xz P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 0.80 0.80 1.00 1.00 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">101 16 3 101 100 2 15 5 18 103 5 18 3 16 102 103 26 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc W W Tc Tc W W W W Tc W W W W Tc Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">613</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">7.67 3.67 3.66 3.60 3.51 2.62 2.54 2.48 2.48 2.38 2.31 2.01 1.88 1.83 1.54 1.50 1.49 1.46 1.34 1.32 1.32 1.31 1.31 1.29 1.24 1.21 1.19 1.18 1.14 1.12 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xy D:xy D:z2 D:xy D:z2 D:x2-y2 D:yz D:x2-y2 D:yz D:z2 D:z2 D:xy P:x P:x D:z2 D:z2 P:z P:z D:xz D:yz D:yz D:xz P:x P:x P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">101 14 15 1 2 18 1 5 14 5 18 100 71 49 17 4 60 25 18 16 3 5 45 41 29 62 3 16 17 4 100 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Tc W W W W W W W W W W Tc O O W W O O W W W W O O 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">-0.283</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">614</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.32 5.31 4.77 4.42 4.41 2.92 2.90 2.23 1.91 1.90 1.52 1.52 1.52 1.49 1.41 1.40 1.37 1.36 1.34 1.34 1.29 1.29 1.20 1.19 1.18 1.18 1.11 1.10 1.08 1.07 1.04 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:xy D:xy D:xy D:yz D:yz D:z2 D:z2 D:xy P:y P:y D:z2 D:x2-y2 D:z2 D:x2-y2 P:y P:y P:x P:x P:x P:x D:z2 D:z2 D:xz D:xz P:z P:z D:xy D:yz D:xy D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">1 14 100 1 14 5 18 101 66 33 2 2 15 15 34 67 44 69 70 47 16 3 15 2 47 70 15 4 2 17 16 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W Tc W W W W Tc O O W W W W O O O O O O W W W W O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">615</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.86 3.79 2.47 2.21 2.18 1.97 1.91 1.75 1.74 1.72 1.61 1.58 1.56 1.52 1.52 1.37 1.36 1.35 1.22 1.21 1.15 1.11 1.09 1.09 1.08 1.08 1.07 1.06 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">D:z2 D:z2 P:z D:x2-y2 D:x2-y2 D:xy D:xy D:xz D:z2 D:z2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz P:y P:y P:z D:xy D:xy P:z P:y P:y P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">2 15 28 15 2 7 12 103 18 5 19 16 3 102 9 15 2 102 32 65 30 1 14 44 44 69 69 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W O W W W W Tc W W W W W Tc W W W Tc O O O W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">616</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">7.61 2.95 2.58 2.48 2.40 2.36 2.02 2.01 1.74 1.29 1.28 1.27 1.23 1.23 1.04 1.04</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:xz D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:xz D:yz D:yz P:z D:xz D:xz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">101 102 19 7 9 12 2 15 103 15 2 28 15 2 19 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc W W W W W W Tc W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.160</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">617</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.88 2.85 2.48 2.45 2.38 2.37 2.27 2.24 2.15 2.15 1.89 1.86 1.86 1.81 1.81 1.80 1.79 1.57 1.56 1.43 1.42 1.40 1.39 1.32 1.32 1.30 1.27 1.09 1.09 1.07 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z P:z D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:xz D:xz D:yz D:yz D:xz D:xz P:y P:y D:xy D:xy P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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="32">3 16 17 4 60 25 18 5 18 5 2 101 15 15 2 18 5 3 16 1 14 15 2 31 64 15 2 71 49 69 44 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W O O W W W W W Tc W W W W W W W W W 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">-0.139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">618</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">10.34 9.75 3.89 3.87 3.44 3.41 2.52 2.49 2.35 2.33 2.17 2.05 1.82 1.75 1.74 1.71 1.57 1.15 1.11 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x D:z2 D:z2 P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">103 102 9 19 11 6 7 12 8 13 9 19 51 95 20 10 39 48 92 56 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc W W W W W W W W 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">-0.126</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">619</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.16 2.85 2.76 2.61 2.55 2.19 2.17 1.97 1.93 1.90 1.56 1.53 1.47 1.45 1.43 1.39 1.37 1.35 1.24 1.23 1.22 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xy D:xy D:xz D:x2-y2 D:xz D:xz S D:yz D:yz D:yz D:yz D:yz D:xy D:yz D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -15.731 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -6.750 1.164</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 0.80 0.80 1.00 1.00 0.80 0.80 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">102 20 10 102 103 8 13 105 20 10 12 7 9 9 19 19 6 11 101 8 13 102 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W Tc Tc W W P W W W W W W W W W W Tc W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.052</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">620</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.70 6.68 4.53 4.53 3.98 3.97 3.29 2.90 2.33 2.28 2.09 1.99 1.98 1.67 1.56 1.54 1.20 1.19 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">D:z2 D:z2 D:xy D:xy D:z2 D:z2 D:xz P:z D:x2-y2 D:x2-y2 P:z P:y P:y D:z2 D:yz D:yz P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 1.33 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">16 3 14 1 17 4 101 37 17 4 30 68 42 101 18 5 66 33 31 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W Tc O W W 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">0.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">621</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.22 6.21 3.56 3.55 2.58 2.49 2.24 1.88 1.86 1.75 1.75 1.72 1.71 1.62 1.59 1.59 1.49 1.48 1.44 1.41 1.20 1.19 1.19 1.17 1.12 1.09 1.08 1.05 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:z2 D:z2 D:z2 D:z2 D:yz D:yz P:z D:xz D:xz D:yz D:z2 D:yz D:z2 P:y P:z P:y P:y P:y D:z2 D:z2 P:y D:x2-y2 P:y D:x2-y2 D:z2 P:z D:yz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -10.027 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 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 0.80 1.33 0.80 1.33 0.80 1.00 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">7 12 10 20 8 13 85 7 12 9 13 19 8 50 86 55 87 94 19 9 88 7 78 12 102 93 11 12 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W O W W W W W W O O O O O W W O W O W Tc O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">622</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.37 8.35 3.57 3.48 2.86 2.77 2.64 2.62 2.28 2.28 1.97 1.91 1.85 1.83 1.82 1.61 1.58 1.51 1.46 1.17 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">D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:z P:z D:yz D:xz D:xz P:y P:y P:y P:y D:x2-y2 D:x2-y2 D:xy D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -6.750 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 11 7 12 6 11 8 13 63 58 103 7 12 77 99 94 87 10 20 103 102 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W O O Tc W W O O O O W W Tc Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.086</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">623</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.50 10.50 5.74 5.12 5.12 2.36 2.36 1.87 1.87 1.70 1.68 1.67 1.47 1.47 1.30 1.29 1.29 1.29 1.24 1.24 1.20 1.19</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 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:xz D:z2 D:z2 P:x P:x P:z P:z D:yz D:yz D:xz P:x P:x D:xy D:xy D:z2 D:z2 P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 4.727 4.727 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.00 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 4 100 3 16 54 43 27 61 14 1 101 42 68 17 4 17 4 97 35 68 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc W W O O O O W W Tc O O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.131</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">624</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.63 9.59 3.51 3.50 2.69 2.67 2.37 2.36 2.33 2.32 2.30 2.30 2.07 1.93 1.89 1.86 1.85 1.56 1.54 1.46 1.40 1.39 1.34 1.34 1.07 1.07 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:yz D:yz D:x2-y2 D:x2-y2 P:y P:y D:z2 P:x D:z2 P:x D:xy D:xz D:xz P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -10.027 -4.411 -10.027 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 4.727 4.727 -4.411 -4.411 4.727 4.727 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">11 6 6 11 10 20 80 53 10 58 20 63 103 20 10 24 79 9 19 102 11 6 9 19 20 10 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O O W O W O Tc W W O O W W Tc 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">0.174</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">625</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.89 8.84 5.31 3.43 3.39 3.16 3.13 2.72 2.71 2.70 2.67 1.62 1.61 1.53 1.53 1.48 1.37 1.37 1.34 1.28 1.20 1.11 1.04 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 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 P:z D:x2-y2 D:x2-y2 P:y P:y D:z2 D:z2 D:xy D:xy P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:xz D:yz D:yz D:yz D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -6.750 4.727 4.727 -6.750 -4.411 -4.411 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.00 0.00 0.00 1.00 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">9 19 93 9 19 48 92 7 12 19 9 24 79 20 10 103 9 19 103 9 19 6 11 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O W W O O W W W W O O W W Tc W W Tc W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">626</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.43 5.38 5.34 4.85 4.85 4.75 4.21 4.16 3.68 3.66 3.26 3.20 2.96 2.94 2.29 2.28 1.72 1.72 1.38 1.37 1.26 1.26 1.15 1.15 1.14 1.13 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:z2 D:z2 D:xy D:x2-y2 D:x2-y2 D:xy D:z2 D:z2 P:z P:z D:x2-y2 D:x2-y2 P:x P:x P:x P:x P:x P:x D:xz D:xz P:x P:x D:yz D:xz D:yz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 17 100 17 4 101 3 16 27 61 16 3 43 54 97 35 68 42 17 4 64 31 17 3 4 16 42 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W Tc W W Tc W W O O W W O O O O O O W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">627</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.37 5.34 4.43 4.11 4.06 3.33 3.32 2.85 2.80 2.80 2.72 2.66 2.48 2.44 2.33 2.30 2.09 2.07 1.35 1.35 1.33 1.27 1.18 1.18 1.11 1.11 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 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:yz D:z2 D:z2 D:yz D:yz D:yz P:x P:x D:x2-y2 D:x2-y2 D:xy D:xy P:z P:z D:xz D:xz D:z2 D:z2 D:z2 D:z2 P:x P:x D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 4.546 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">10 20 103 12 7 11 6 102 84 89 10 20 20 10 75 91 20 10 8 13 19 9 83 59 102 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W Tc W W W W Tc O O W W W W O O W W W W W W O O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.277</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">628</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.18 2.71 2.68 2.55 2.52 2.18 2.16 2.02 2.00 1.97 1.97 1.92 1.90 1.81 1.80 1.48 1.45 1.44 1.42 1.34 1.32 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:yz D:yz D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xz P:z D:x2-y2 D:x2-y2 D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">101 3 16 16 3 101 101 4 17 14 1 4 17 2 15 100 5 18 30 15 2 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W W W Tc Tc W W W W W W W W Tc W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.294</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">629</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.56 4.55 3.39 3.30 2.83 2.47 2.45 2.36 1.82 1.74 1.65 1.51 1.46 1.41 1.33 1.32 1.32 1.30 1.29 1.17 1.15 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:x2-y2 D:x2-y2 S D:x2-y2 D:x2-y2 D:z2 P:z D:xy D:xy D:x2-y2 S D:z2 P:z D:xz P:z P:y P:y D:x2-y2 D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 1.164 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -6.750 -5.732 -6.750 -10.027 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.00 0.80 0.80 1.00 1.33 0.80 0.80 1.00 2.00 1.00 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">10 20 13 8 102 12 7 101 86 8 13 102 102 102 75 102 91 88 78 9 19 84 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Tc W W Tc O W W Tc Tc Tc O Tc O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">630</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="39">2.58 2.57 2.40 2.23 2.21 2.21 2.19 1.80 1.77 1.67 1.63 1.60 1.58 1.58 1.56 1.55 1.49 1.47 1.47 1.46 1.45 1.44 1.38 1.35 1.32 1.31 1.26 1.25 1.22 1.18 1.18 1.18 1.18 1.16 1.12 1.10 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">1 1 3 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 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="39">D:z2 D:z2 S D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:yz D:x2-y2 D:yz D:yz D:z2 D:xz D:xz D:z2 P:z D:xz D:xy D:xy D:xy D:xy S D:xz P:x P:x P:x D:x2-y2 D:x2-y2 P:z S P:z D:yz D:yz D:z2 D:z2 S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">-4.411 -4.411 1.164 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 -5.732 -6.750 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -6.581 -10.027 -4.411 -4.411 -4.411 -4.411 3.073 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 0.80 0.80 0.80 2.00 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.33 0.80 0.80 0.80 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="39">13 8 102 13 8 10 20 19 9 103 20 10 9 20 10 19 73 102 12 11 6 7 102 103 81 56 39 10 20 76 107 74 13 8 7 12 107 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">W W Tc W W W W W W Tc W W W W W W O Tc W W W W Tc Tc O O O W W O H O W W W W H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">631</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.20 10.16 3.56 3.54 2.85 2.26 2.24 2.20 1.52 1.49 1.42 1.39 1.38 1.37 1.37 1.37 1.27 1.26 1.06 1.06 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:xy D:xy D:xz P:z D:xz D:xz D:z2 D:z2 D:yz D:z2 D:z2 D:xy D:xy D:yz P:x P:x P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 4.727 4.727 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.00 0.00 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="23">13 8 11 6 102 86 7 12 10 20 12 13 8 8 13 7 81 56 78 77 88 99 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Tc O W W W W W W W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.562</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">632</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">15.24 10.89 6.33 4.73 4.66 4.27 1.82 1.81 1.70 1.70 1.69 1.69 1.59 1.59 -1.55 1.55 1.54 1.40 1.27 1.27 -1.23 1.18 1.09 1.08 1.06 1.05 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 1 1 1 2 2 1 1 3 3 3 3 3 3 3 1 1 1 3 3 3 1 1 1 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S D:x2-y2 D:z2 S S S D:xy D:xy S S S S S S S P:x D:x2-y2 D:xz S S S S D:xy D:xy S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.164 -6.750 -6.750 -6.581 3.073 -5.732 -4.411 -4.411 1.722 1.722 1.722 1.722 1.722 1.722 1.164 -10.027 -6.750 -6.750 1.722 1.722 3.851 -26.921 -4.411 -4.411 -6.402 -6.402 26.840</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 1.00 1.00 1.00 0.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 1.00 0.00 0.00 0.00 2.00 0.80 0.80 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">100 100 100 106 106 100 2 15 4 17 15 2 18 5 101 22 101 100 14 1 104 40 4 17 18 5 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc Tc H H Tc W W W W W W W W Tc O Tc Tc W W P O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.602</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">633</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.56 6.41 6.21 5.83 5.82 3.53 3.51 3.48 3.43 3.10 2.99 2.52 2.47 1.95 1.94 1.69 1.48 1.46 1.45 1.45 1.44 1.43 1.29 1.27 1.19 1.16</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:xy D:x2-y2 D:x2-y2 P:x P:x P:z P:z D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x D:xy P:x D:xz P:x D:xz D:yz D:yz P:z P:z D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -6.750 -10.027 -4.411 -10.027 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.00 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="26">8 13 102 13 8 56 81 74 76 9 19 19 9 78 88 103 51 13 95 8 13 8 88 78 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Tc W W O O O O W W W W O O Tc 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">0.623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">634</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.33 4.30 3.27 3.27 2.59 2.52 2.22 2.17 1.87 1.73 1.48 1.46 1.44 1.42 1.25 1.22 1.21 1.21 1.19 1.16 1.15 1.15 1.11 1.10 1.09 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:yz D:xz D:xz D:x2-y2 D:x2-y2 D:xy D:xy D:z2 P:x D:z2 D:x2-y2 D:z2 D:x2-y2 D:xy D:z2 D:yz D:xy D:z2 D:x2-y2 D:x2-y2 D:yz P:z P:x P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">11 6 20 10 20 10 10 20 102 73 6 8 11 13 12 19 8 7 9 19 9 13 73 53 80 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W Tc O W W W W W W W W W W W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">635</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.53 4.72 4.02 3.90 3.90 3.89 3.49 3.48 3.33 3.33 2.81 2.53 2.53 2.22 2.21 -2.15 -2.11 1.73 1.72 -1.68 1.68 1.67 1.44 1.42 1.32 1.30 1.20 -1.15 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 1 3 3 3 3 3 3 3 3 3 3 3 3 3 2 1 1 2 2 2 3 3 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S S S S S S S S S S D:xz D:xz S S S S S D:xy D:xy D:x2-y2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.164 3.073 -6.581 1.164 1.722 1.722 1.722 1.722 1.722 1.722 1.164 1.722 1.722 1.722 1.722 3.851 -5.732 -4.411 -4.411 -5.732 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -4.411 -15.731 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 0.80 2.00 2.00 2.00 0.00 0.00 0.80 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">102 107 107 101 12 7 19 9 8 13 103 11 6 10 20 105 103 20 10 102 12 7 16 3 20 10 10 105 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc H H Tc W W W W W W Tc W W W W P Tc W W Tc W W W W W W W P W</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">636</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.21 7.77 4.98 4.47 3.78 3.30 3.29 3.18 2.90 2.89 2.80 2.64 2.60 2.59 2.54 2.54 2.28 1.82 1.78 1.78 -1.77 1.70 -1.65 1.51 1.16 1.15 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 1 3 3 1 3 3 2 3 3 1 3 3 3 3 3 1 1 3 3 2 2 3 2 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S D:x2-y2 S S D:z2 S S S S S S S S S S S P:x D:x2-y2 S S S S P:x S S S D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.164 -6.750 1.164 1.164 -6.750 1.722 1.722 3.073 1.722 1.722 -6.581 1.164 1.722 1.722 1.722 1.722 -10.027 -6.750 1.722 1.722 -5.732 -5.732 2.733 -5.732 1.722 1.722 -6.750 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 100 102 103 100 16 3 107 18 5 107 101 14 1 15 2 22 102 17 4 101 103 105 102 8 13 100 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc Tc Tc Tc W W H W W H Tc W W W W O Tc W W Tc Tc P Tc W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">637</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">15.12 8.16 6.83 5.49 2.93 2.92 2.09 1.68 1.59 1.58 1.52 1.35 1.32 1.30 1.29 1.29 1.24 1.22 -1.07 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 3 1 1 2 3 1 3 3 3 2 2 2 1 1 1 3 3 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 S P:x D:z2 P:x S D:xz S S S S S S D:z2 S D:z2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.750 1.164 -10.027 -6.750 -0.512 1.164 -6.750 1.164 1.722 1.722 -5.732 -5.732 3.073 -4.411 -6.581 -4.411 1.722 1.722 -5.732 1.722 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 0.00 1.33 1.00 0.00 0.00 1.00 0.00 0.00 0.00 2.00 2.00 0.00 0.80 1.00 0.80 0.00 0.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">103 102 39 103 103 100 102 101 8 13 102 100 106 19 106 9 19 9 103 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc O Tc Tc Tc Tc Tc W W Tc Tc H W H W W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.928</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">638</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.93 4.07 3.52 2.89 2.77 2.77 2.76 2.75 2.41 2.40 2.30 -2.15 2.00 1.98 1.97 1.96 1.89 -1.88 1.83 1.81 1.79 1.36 1.36 1.36 1.31 1.30 1.16 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 2 2 1 1 1 1 1 1 1 3 2 1 1 1 1 3 3 1 1 3 3 2 3 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S D:xy D:xy D:yz D:yz D:z2 D:z2 S P:x D:z2 D:z2 D:x2-y2 D:x2-y2 S P:x D:yz D:yz S S S S S S P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.164 -5.732 3.073 -6.581 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -0.512 -4.411 -4.411 -4.411 -4.411 1.164 2.733 -4.411 -4.411 1.164 1.722 -15.731 1.722 1.722 1.722 -10.027 -6.750</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 2.00 0.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.00 0.00 2.00 0.00 0.00 0.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 100 106 106 3 16 16 3 14 1 102 100 15 2 1 14 103 104 2 15 101 2 104 15 16 3 30 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc H H W W W W W W Tc Tc W W W W Tc P W W Tc W P W W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.986</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">639</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">12.42 7.11 4.67 4.59 3.30 3.26 1.78 1.74 1.62 1.60 1.54 1.43 1.28 1.22 1.21 1.11 1.07 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">D:yz D:yz D:xz D:xz D:xz D:xz D:xz D:xz D:xy D:xz D:xz D:xy D:z2 D:z2 D:xy D:xy D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">101 100 3 16 17 4 5 18 3 2 15 16 3 16 4 2 15 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc 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">0.987</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">640</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.22 6.79 6.30 4.86 2.55 2.53 2.50 2.43 2.29 2.11 2.06 1.98 -1.78 1.73 1.65 1.61 1.50 1.49 1.48 1.46 1.40 -1.38 1.34 1.34 1.17 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 3 3 3 1 1 2 3 3 1 2 1 3 3 1 3 1 1 3 2 3 3 1 3 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 S S S D:x2-y2 D:z2 S S S P:x S S P:x S D:z2 S D:x2-y2 D:z2 S S S P:x D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.750 1.164 1.164 1.164 -6.750 -6.750 -5.732 1.722 1.722 -10.027 3.073 -6.581 2.733 1.164 -4.411 1.722 -4.411 -4.411 1.722 -5.732 1.722 2.733 -4.411 1.722 -5.732 1.722 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.00 0.00 0.00 1.00 1.00 2.00 0.00 0.00 1.33 0.00 1.00 0.00 0.00 0.80 0.00 0.80 0.80 0.00 2.00 0.00 0.00 0.80 0.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">100 100 103 101 102 100 100 7 12 22 107 107 105 102 14 5 14 1 18 103 9 104 1 19 102 17 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc Tc Tc Tc Tc Tc W W O H H P Tc W W W W W Tc W P W W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">641</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">4.89 4.88 4.24 4.20 3.14 3.10 2.97 2.95 2.45 2.43 1.84 1.67 1.64 1.50 1.35 1.32 1.31 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz D:xz D:yz D:yz D:yz D:yz D:yz D:yz D:xy D:xy S D:z2 D:z2 D:x2-y2 D:xy P:x D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -4.411 -4.411 -6.750 -4.411 -10.027 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">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 1.00 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">14 1 5 18 2 15 17 4 17 4 100 18 5 100 5 37 18 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W W W W Tc W W Tc W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">642</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">12.79 5.73 5.71 5.49 4.63 3.37 3.36 3.15 3.07 2.66 2.56 2.40 2.26 2.24 -2.13 1.90 1.88 1.88 1.88 1.64 1.61 1.58 1.57 1.57 1.46 1.44 1.27 1.27 1.09 1.08 -1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 3 3 1 3 2 2 1 2 1 3 2 3 3 2 3 3 3 3 3 3 3 1 3 3 3 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:x2-y2 S S D:z2 S S S P:x S S S S S S P:x S S S S S S S D:xz S S S S S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.750 1.722 1.722 -6.750 1.164 -6.402 -6.402 -10.027 -5.732 -6.581 1.164 3.073 1.722 1.722 -0.512 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.750 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 2.733</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.00 0.00 0.00 1.00 0.00 2.00 2.00 1.33 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">102 5 18 102 102 5 18 21 100 106 100 106 9 19 100 1 2 14 15 6 11 8 102 13 10 20 2 15 1 14 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc W W Tc Tc W W O Tc H Tc H W W Tc W W W W W W W Tc 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">1.162</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">643</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">10.11 10.05 -6.80 6.73 6.64 5.70 5.66 4.64 4.57 -4.15 4.10 4.10 3.51 3.50 3.39 3.37 3.33 3.33 2.90 2.90 2.51 2.46 1.95 1.94 1.93 1.91 1.52 1.52 1.41 -1.40 1.39 -1.23 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 3 2 2 3 3 3 3 3 3 3 2 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S P:z S S S S S S P:z S S S S S S S S S S S S S S S S S S S P:z S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.722 1.722 2.733 1.722 1.722 -6.402 -6.402 1.722 1.722 2.733 1.722 1.722 1.722 1.722 -6.402 1.722 -6.402 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -5.665 -6.402 -0.512 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">16 3 104 12 7 16 3 18 5 105 4 17 10 20 12 19 7 9 15 2 18 5 19 4 17 9 15 2 10 104 20 101 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W P W W W W W W P W W W W W W W W W W W W W W W W W W W P W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">644</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">11.65 5.78 5.54 -4.08 4.08 3.98 3.19 3.12 -2.84 2.74 2.64 2.48 2.48 2.45 2.28 2.26 2.13 1.75 1.69 1.69 1.67 1.57 1.55 1.55 1.42 1.40 1.34 -1.34 1.23 1.18 1.11 1.07 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 3 3 3 3 3 3 3 3 2 2 2 3 2 3 3 3 3 3 3 3 1 1 2 2 2 2 2 2 2 3 1 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">D:yz S S P:y S S S S P:y S S S S S S S S S S S S D:xz D:xz S S S S P:y S S S D:xz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-6.750 1.722 1.722 2.733 1.722 1.722 1.722 1.722 2.733 -6.402 -6.402 -6.402 1.722 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.402 -6.402 -5.665 -6.402 -6.402 1.722 -4.411 -4.411 -6.402 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 2.00 2.00 2.00 2.00 1.00 2.00 2.00 0.00 0.80 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">103 14 1 104 18 5 6 11 105 14 1 18 7 5 12 16 3 15 9 2 19 9 19 7 12 6 11 105 16 3 17 12 7 15 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">Tc W W P W W W W P W W W W W W W W W W W W W W W W W W P W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">645</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">11.12 4.68 4.09 3.90 3.55 3.42 3.37 3.04 2.79 -2.68 2.58 2.43 2.40 2.30 2.23 2.07 -1.90 1.86 1.82 1.78 1.77 1.74 1.57 -1.49 1.47 1.38 1.23 1.10 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 1 2 1 3 2 1 2 3 2 3 1 3 2 3 3 3 2 2 1 1 3 2 2 2 2 3 3 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S D:x2-y2 S S S S D:x2-y2 S S P:x S D:z2 S S S S P:x S S P:x P:x S S P:x S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.164 -6.750 -5.732 -6.581 1.722 3.073 -6.750 -5.732 1.722 -0.512 1.164 -6.750 1.722 -6.402 1.722 1.722 2.733 -6.402 -6.402 -10.027 -10.027 1.722 -6.402 -0.512 -6.402 -6.402 1.722 1.164 1.722 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 1.00 2.00 1.00 0.00 0.00 1.00 2.00 0.00 0.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 1.33 1.33 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">102 102 102 106 1 106 103 100 14 100 103 102 12 1 7 2 105 14 2 39 21 15 15 102 12 7 5 100 19 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Tc Tc Tc H W H Tc Tc W Tc Tc Tc W W W W P W W O O W W Tc W W W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.278</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">646</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">17.51 9.42 8.73 -5.43 4.95 4.65 3.59 3.14 2.44 2.18 2.16 2.12 2.04 2.03 1.93 1.74 1.73 1.69 1.45 1.44 -1.15 1.13 1.13 1.12 1.10 1.10 1.10 1.09 1.08 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 1 1 1 1 2 1 2 1 2 2 1 1 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:yz S S P:y S S S S S S S S S S S S D:xz D:xz D:xz D:xz P:y D:xy S D:xy S S P:y P:y S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.750 1.722 1.722 2.733 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -5.665 -4.411 -6.402 -4.411 -6.402 -6.402 -10.027 -10.027 -6.402 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.00 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 0.80 0.80 0.80 0.80 1.00 0.80 2.00 0.80 2.00 2.00 1.33 1.33 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">103 14 1 104 14 1 15 2 15 2 17 16 4 3 18 5 9 19 12 7 104 7 18 12 16 3 82 57 17 5 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc W W P W W W W W W W W W W W W W W W W P W W W W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.314</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">647</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.63 7.62 7.43 7.40 -5.64 5.07 5.07 5.06 5.06 5.04 5.01 4.21 4.19 3.95 3.95 3.87 3.86 -3.73 3.54 3.50 2.97 2.96 -2.11 2.07 2.06 -2.01 2.00 2.00 -1.73 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 3 3 3 3 3 2 3 2 3 3 3 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S P:z S S S S S S S S S S S S P:z S S S S P:z S S P:z S S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.722 1.722 1.722 1.722 2.733 1.722 1.722 -6.402 1.722 -6.402 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 2.733 -6.402 -6.402 -6.402 -6.402 -0.512 -6.402 -6.402 -5.665 -6.402 -6.402 -0.512 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 1.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">10 20 17 4 105 8 2 17 13 4 15 9 19 20 10 7 12 104 2 15 8 13 100 9 19 105 7 12 102 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W P W W W W W W W W W W W W P W W W W Tc W W P W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">648</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">15.42 15.41 -9.20 7.76 7.69 5.91 5.86 4.15 3.91 3.90 3.60 3.58 3.58 3.56 3.34 3.33 2.98 2.98 2.02 1.97 -1.94 1.87 1.86 -1.84 1.76 1.75 1.65 1.63 1.61 1.59 1.36 1.32 -1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 2 2 3 3 1 2 2 3 3 3 3 3 3 3 3 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S P:y S S S S D:yz S S S S S S S S S S S S P:y S S P:y S S S S S S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.722 1.722 2.733 -6.402 -6.402 1.722 1.722 -6.750 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -5.665 -6.402 -6.402 2.733 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 1.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">11 6 105 6 11 20 10 103 10 20 12 13 7 8 1 14 19 9 14 1 105 7 12 104 15 2 8 13 9 19 15 2 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W P W W W W Tc W W W W W W W W W W W W P W W P W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.382</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">649</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.33 3.32 2.76 2.75 2.46 2.41 2.37 2.31 2.26 2.08 1.97 1.91 1.88 1.85 1.72 1.69 1.67 1.60 1.57 1.55 1.50 1.49 1.47 1.45 1.44 1.39 1.27 1.27 1.25 -1.24 1.23 1.23 1.19 1.19 1.11 1.08 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 3 3 3 1 1 1 1 1 1 3 2 2 2 1 1 2 3 3 3 3 2 2 2 2 1 2 1 1 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:x2-y2 D:x2-y2 D:z2 D:z2 S S S D:yz D:yz S D:x2-y2 D:z2 D:z2 S S S S D:xy D:xy S S S S S P:z S S S D:z2 P:x P:y D:z2 P:y S D:yz D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 1.164 1.722 1.722 -4.411 -4.411 -6.581 -6.750 -4.411 -4.411 1.164 -6.402 -6.402 3.073 -4.411 -4.411 -5.732 1.722 1.722 1.722 1.722 -5.665 -15.731 -6.402 -6.402 -4.411 -0.512 -10.027 -4.411 -10.027 -6.581 -4.411 -4.411 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.80 1.00 1.00 0.80 0.80 0.00 2.00 2.00 0.00 0.80 0.80 2.00 0.00 0.00 0.00 0.00 1.00 2.00 2.00 2.00 0.80 0.00 1.33 0.80 1.33 1.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">11 6 11 6 101 20 10 19 9 107 102 20 10 103 20 10 107 9 19 101 11 4 17 6 105 105 4 17 12 102 63 7 58 106 13 8 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W Tc W W W W H Tc W W Tc W W H W W Tc W W W W P P W W W Tc O W O H W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.396</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">650</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">23.34 15.76 2.15 2.14 1.93 1.92 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">D:yz D:yz D:xz D:xz D:xz D:xz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">100 101 4 17 1 14 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Tc Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">651</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.63 3.60 3.56 3.53 2.89 2.82 2.81 2.78 2.51 2.44 2.05 2.03 2.03 2.00 2.00 1.84 1.82 1.78 1.75 1.73 1.71 1.70 1.66 1.65 -1.52 1.50 1.46 1.38 1.35 1.28 1.28 1.25 1.24 1.16 1.15 1.08 1.05 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">2 3 2 3 3 3 3 3 1 2 2 1 1 3 3 2 2 1 3 1 2 1 2 1 2 3 3 1 1 1 1 2 2 1 1 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S S S S S S S S D:yz D:yz S S S S D:x2-y2 S D:x2-y2 S D:x2-y2 S D:x2-y2 P:x S S D:yz D:yz D:xy D:xy S S D:xz D:xz S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-6.402 1.722 -6.402 1.722 1.722 1.722 1.722 1.722 -6.581 3.073 -5.732 -4.411 -4.411 1.722 1.722 -6.402 -6.402 -4.411 1.164 -4.411 -6.402 -4.411 -6.402 -4.411 -0.512 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -4.411 -4.411 -6.402 -6.402 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 0.80 0.80 0.00 0.00 2.00 2.00 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.00 0.00 0.00 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">2 2 15 15 19 9 11 6 107 107 102 7 12 20 10 11 6 12 101 7 19 8 9 13 102 18 5 8 13 13 8 20 10 11 6 18 5 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W W W W H H Tc W W W W W W W Tc W W W W W Tc W W W W W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">652</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.21 5.20 2.80 2.76 2.58 2.50 2.24 2.11 2.08 1.92 1.88 1.85 1.65 1.63 1.59 1.34 1.34 1.23 1.20 1.19 1.14 1.11 1.05 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 1 1 3 3 1 1 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:xz D:yz D:yz D:yz D:yz S D:yz D:yz D:yz D:yz D:x2-y2 D:xy D:xy S D:x2-y2 D:x2-y2 S S P:x D:z2 D:z2 S D:xy S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 1.164 -4.411 -4.411 -4.411 -4.411 -6.750 -4.411 -4.411 -5.732 -4.411 -4.411 1.722 1.722 -10.027 -4.411 -4.411 -6.402 -4.411 -6.402 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 2.00 0.80 0.80 0.00 0.00 1.33 0.80 0.80 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">6 11 9 19 7 12 102 10 20 13 8 102 9 19 102 20 10 19 9 93 20 10 19 13 9 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W Tc W W W W Tc W W Tc W W W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">653</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.13 8.07 6.55 6.52 5.34 5.29 5.21 5.17 4.84 4.18 3.75 3.66 3.44 3.31 3.29 3.16 -2.41 2.34 2.29 -1.97 1.80 1.74 1.48 1.43 1.28 1.26 1.15 -1.12 1.11 -1.07 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 2 2 3 2 3 2 3 2 3 3 2 2 3 3 2 2 2 2 2 2 3 3 3 3 2 2 3 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 P:z S S P:z S S S S S S S P:z S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 1.722 -6.402 1.722 -6.402 1.164 -5.732 1.722 1.722 -6.402 -6.402 1.722 1.722 -0.512 -6.402 -6.402 -0.512 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -0.512 1.722 2.733 -6.402 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">8 13 8 13 4 4 17 17 102 102 10 20 16 3 16 3 102 10 20 100 2 15 2 15 11 6 12 101 12 105 7 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W Tc Tc W W W W W W Tc W W Tc W W W W W W W Tc W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.617</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">654</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.04 4.90 4.74 4.60 4.12 4.01 3.76 3.68 3.03 3.01 2.93 2.80 2.74 2.72 2.60 2.52 2.52 2.41 2.40 2.36 2.24 2.11 1.73 1.72 1.69 1.65 1.50 1.30 1.26 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 3 3 2 2 3 3 1 3 2 3 2 2 2 2 2 3 3 3 3 1 2 2 3 3 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S D:yz S S S S S S S S S S S S D:yz S S S S D:yz D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.750 1.722 -6.402 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.750 -6.402 -6.402 1.722 1.722 -4.411 -4.411 -6.750 -5.665</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 2.00 2.00 0.00 0.00 0.80 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">3 16 3 16 5 18 5 18 102 17 15 4 2 17 7 12 4 15 7 12 2 101 9 19 9 19 3 16 100 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W Tc W W W W W W W W W W W W Tc W W W W W W Tc P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">655</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.30 10.07 5.27 5.01 2.48 2.47 2.22 2.15 1.94 1.94 1.85 1.80 1.75 1.72 1.51 1.49 1.26 1.25 1.22 1.15 1.14 1.13 1.07 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 P:z P:z D:xy D:xy P:z P:z P:z P:z P:z P:x D:xz D:xz P:z P:z S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 0.156 0.156 1.722 -26.921 1.722 -4.411</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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.00 0.00 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 2 16 3 16 3 16 3 65 32 15 2 64 31 69 44 40 30 16 3 16 3 1 28 14 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O W W O O O O O O 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">1.688</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">656</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">23.41 4.58 4.27 4.24 2.19 2.13 1.93 1.92 1.92 1.90 1.62 1.60 1.51 1.50 1.43 1.39 1.18 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 2 2 2 3 3 2 3 3 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz D:xz D:xz S S S S S S S S D:xz D:xz S S D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.750 -6.750 -4.411 -4.411 -6.402 -6.402 -6.402 1.722 1.722 -6.402 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 0.80 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">102 103 8 13 15 2 3 2 15 16 16 3 20 10 7 12 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">657</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.62 10.60 5.37 5.34 2.62 2.50 2.33 2.28 2.18 2.17 2.03 2.03 1.73 1.72 1.71 1.52 1.51 1.16 1.14 1.13 1.13 1.12 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:z P:z P:x P:z P:z P:z P:z D:yz P:z P:z D:yz S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 0.156 0.156 -4.411 -26.921 -10.027</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.00 0.00 0.80 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">18 5 17 4 4 17 17 4 5 18 34 67 37 71 49 42 68 16 18 5 3 26 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O O O O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">658</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.77 7.74 4.36 3.38 3.36 3.03 2.95 2.32 2.24 2.23 2.01 1.90 1.71 1.67 1.65 1.63 1.63 1.60 1.58 1.57 1.51 1.50 1.49 1.43 1.43 1.42 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 2 2 3 3 2 3 1 1 3 2 3 3 2 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 D:x2-y2 D:yz P:y P:y D:z2 D:z2 P:y P:y P:y S S S S D:yz D:yz S S S S S D:yz D:yz P:y D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -10.027 -10.027 -4.411 -4.411 -10.027 0.156 0.156 1.722 1.722 -6.402 1.722 -4.411 -4.411 1.722 -6.402 1.722 1.722 -6.402 -4.411 -4.411 -10.027 -4.411 -4.411 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.80 0.00 2.00 0.00 0.00 2.00 0.80 0.80 1.33 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">1 14 101 70 47 1 14 30 14 1 16 3 9 19 2 15 10 19 9 20 20 3 16 28 16 3 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W Tc O O W W O W W W W W W W 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">1.804</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">659</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.82 6.64 6.50 6.24 4.67 4.57 4.08 3.92 3.91 3.70 3.47 3.32 3.22 3.03 2.98 2.82 2.38 2.31 2.24 1.96 1.96 1.87 1.87 1.84 1.81 -1.05 1.05 -1.04 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 2 2 2 2 3 3 3 3 3 3 2 2 2 2 2 2 1 3 3 2 3 2 3 2 1 2 1 1 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 D:yz S S S S S S P:z D:yz P:z D:yz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.750 1.722 1.722 -6.402 1.722 -6.402 1.722 0.156 -4.411 0.156 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 1.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">13 8 13 8 20 10 20 10 9 19 7 12 7 12 9 19 15 2 102 15 2 17 17 4 4 6 15 11 2 7 12</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 Tc 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">1.818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">660</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="43">5.58 5.50 5.48 5.31 4.55 4.47 4.14 3.96 2.48 2.38 2.36 2.34 2.32 2.22 1.91 1.81 1.75 1.71 1.66 1.66 1.61 1.61 1.57 1.57 1.41 1.39 1.37 1.37 -1.33 1.31 1.31 1.30 1.21 1.21 1.20 1.17 1.15 -1.14 1.12 1.12 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="43">2 2 3 3 3 3 2 2 2 2 3 2 2 3 2 2 3 3 3 3 3 2 2 3 3 3 1 1 2 1 3 3 2 3 1 2 1 2 3 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="43">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 D:yz D:yz P:y D:yz S S S S D:x2-y2 S D:x2-y2 P:y S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="43"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 -6.402 -6.402 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 -4.411 -4.411 -0.512 -6.750 1.722 1.722 -6.402 1.722 -4.411 -6.402 -4.411 -0.512 1.722 -6.402 -6.402 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="43">2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 0.80 0.00 1.00 0.00 0.00 2.00 0.00 0.80 2.00 0.80 0.00 0.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="43">4 17 17 4 5 18 18 5 16 3 13 8 13 8 19 9 20 15 10 7 2 2 15 12 3 9 5 18 100 102 16 19 10 11 1 20 14 101 6 12 7 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="43">W W W W W W W W W W W W W W W W W W W W W W W W W W W W Tc Tc W W W W W W W Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">661</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">14.86 14.85 14.51 14.51 2.66 2.64 2.39 2.38 1.98 1.96 1.68 1.68 1.60 1.57 1.53 1.51 -1.33 -1.32 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">2 2 3 3 2 2 1 1 3 3 2 2 2 2 3 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S D:x2-y2 D:x2-y2 S S S S S S S S P:y P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 0.156 0.156 -5.732</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">1 14 1 14 2 15 1 14 2 15 3 16 17 4 17 4 1 14 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.876</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">662</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">7.69 7.63 6.68 6.61 5.37 5.35 4.20 4.17 3.30 3.23 3.19 3.16 3.05 3.02 -2.54 2.51 2.37 2.24 2.24 2.07 1.96 1.95 1.91 1.79 -1.48 -1.45 1.33 1.17 1.09 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 3 2 2 3 3 3 2 3 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 3 3 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S P:z S S S S S S S S S P:z P:z S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 -6.402 1.722 -6.402 -6.402 -6.402 -0.512 -6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -5.732 -0.512 -0.512 1.164 1.722 1.722 -6.402 1.722</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">19 9 19 9 16 3 16 3 12 8 7 12 7 13 103 4 17 5 18 8 5 18 13 102 101 102 102 4 17 10 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W W W Tc W W W W W W W W Tc Tc Tc Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.977</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">663</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">14.09 14.09 13.29 13.29 3.31 3.31 2.95 2.95 2.75 2.70 2.28 2.24 1.74 1.73 1.72 1.71 -1.37 -1.35 1.20 1.13 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 3 2 2 2 2 3 3 2 2 3 3 3 3 2 2 2 2 2 1 1 3</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 P:y P:y S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">1.722 1.722 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 0.156 0.156 -5.732 -4.411 -4.411 1.164</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 11 6 11 20 10 20 10 8 13 8 13 12 7 12 7 11 6 102 6 11 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W W W W W Tc W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.990</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">664</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">10.05 9.92 7.77 7.52 4.94 -4.80 4.63 4.52 4.26 4.15 4.12 4.12 4.11 3.74 3.51 3.46 -2.86 2.74 2.65 2.46 -1.92 -1.75 1.74 1.72 1.71 1.71 -1.59 -1.52 1.43 1.10 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 3 3 2 3 2 3 1 2 3 2 2 2 3 3 2 3 2 3 3 3 3 2 3 2 2 2 1 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S S S S S S S S S S S S P:x S S S S S P:x S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 1.722 -6.402 1.164 -6.402 1.722 -6.581 -6.402 1.722 -6.402 -6.402 -6.402 1.722 1.722 -5.732 1.722 3.073 1.722 1.164 2.733 1.722 -6.402 1.722 -6.402 -5.732 -0.512 -6.581 1.722 -6.402 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 1.00 2.00 0.00 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 2.00 0.00 1.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">5 18 5 18 2 101 15 7 106 3 12 7 16 12 3 16 103 2 106 15 100 104 17 17 4 4 101 100 107 8 10 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W Tc W W H W W W W W W W Tc W H W Tc P W W W W Tc Tc H W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.996</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">665</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.27 10.02 6.44 4.27 3.70 3.65 3.40 1.77 1.74 1.67 1.57 1.55 1.40 1.40 1.24 1.14 1.13 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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz D:xz D:yz D:yz D:yz D:yz P:y D:x2-y2 D:x2-y2 P:y D:yz D:yz P:y D:x2-y2 D:x2-y2 D:x2-y2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.411 -4.411 -6.750 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -6.402 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.00 1.00 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">1 14 100 101 17 4 37 17 4 26 16 3 30 5 18 1 13 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W Tc Tc W W O 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">2.084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">666</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="43">5.12 4.62 4.31 4.09 3.88 3.69 3.14 3.02 3.01 2.70 2.68 2.53 2.42 2.39 2.37 2.27 2.21 2.15 2.05 2.00 1.96 1.87 1.79 1.79 1.70 1.68 1.66 1.64 1.64 -1.63 -1.59 1.57 1.51 -1.44 1.43 1.37 1.37 1.28 1.17 1.15 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="43">2 2 3 2 3 2 2 3 2 3 2 2 1 2 1 1 2 2 3 2 2 3 1 3 1 1 3 3 3 3 3 3 3 2 3 1 2 1 2 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="43">S S S S S S P:x S S S S S D:xz S D:x2-y2 D:xz S S S S S S D:x2-y2 S D:x2-y2 S S S S S S S S P:x S D:xz S D:xz S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="43"
                               units="nonsi:electronvolt">-6.402 -6.402 1.722 -6.402 1.722 -6.402 -0.512 1.722 -5.732 1.722 -6.402 -6.402 -4.411 -6.402 -6.750 -4.411 -6.402 -6.402 1.722 -5.732 -6.402 1.722 -4.411 1.722 -4.411 -6.581 1.722 1.722 1.722 1.164 1.164 1.164 1.722 -0.512 1.722 -4.411 -6.402 -4.411 3.073 -6.402 -6.402 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="43">2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 0.80 2.00 1.00 0.80 2.00 2.00 0.00 2.00 2.00 0.00 0.80 0.00 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 2.00 0.80 0.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="43">8 13 8 10 13 20 101 10 101 20 7 9 16 12 100 3 19 15 7 102 2 17 18 12 5 107 4 9 15 102 103 100 2 102 19 18 17 5 107 4 14 3 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="43">W W W W W W Tc W Tc W W W W W Tc W W W W Tc W W W W W H W W W Tc Tc Tc W Tc W W W W H W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">667</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">4.97 4.91 3.73 3.32 3.27 3.26 3.21 3.17 3.11 2.84 2.80 2.79 2.78 2.74 2.54 2.45 2.43 2.39 2.33 2.28 2.17 2.16 1.95 1.91 1.75 1.57 1.43 1.31 1.27 1.26 1.21 1.14 -1.05 1.04 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">2 2 2 3 3 2 2 2 3 2 3 3 2 2 2 3 3 2 2 2 3 3 3 2 1 1 3 3 3 3 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 S S S S S S S S D:xz D:xz S S S S S S P:y D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 1.722 -6.402 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 1.722 -6.402 -4.411 -4.411 1.722 1.722 1.722 1.722 -6.402 -6.402 -0.512 -4.411 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">4 17 13 4 13 8 20 19 17 10 20 8 9 1 14 12 10 2 15 12 7 19 9 7 3 16 2 15 14 1 16 3 102 5 103</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 W W W W W W W W W W W W W W W W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.147</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">668</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.39 8.25 3.73 3.72 3.57 3.31 3.26 3.14 2.95 2.79 2.47 2.47 2.18 2.10 2.02 1.26 1.25 1.18 1.18 1.15 1.15 1.11 1.10 1.08 1.07 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 D:x2-y2 P:y P:y P:y D:yz D:z2 D:z2 D:yz D:yz P:y P:y D:x2-y2 D:x2-y2 D:yz S P:y D:yz D:xz D:yz S D:xz P:y D:yz D:yz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -10.027 -10.027 -10.027 -6.750 -4.411 -4.411 -4.411 -4.411 0.156 0.156 -4.411 -4.411 -6.750 -6.402 -10.027 -4.411 -4.411 -4.411 -6.402 -4.411 -5.665 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.33 1.33 1.33 1.00 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 1.00 2.00 1.33 0.80 0.80 0.80 2.00 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">6 11 63 58 93 102 6 11 19 9 6 11 19 9 103 6 73 10 11 11 11 6 105 6 20 19 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W O O O Tc W W W W W W W W Tc W O W W W W W P W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.161</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">669</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.38 4.37 3.24 3.17 2.63 2.62 2.46 2.40 2.23 2.22 1.76 1.70 1.66 1.66 1.65 1.63 1.53 1.51 1.39 1.38 1.34 1.33 1.33 1.29 1.23 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 2 2 1 1 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz S S D:xz D:xz S S S S S S D:xz D:xz D:xz D:xz P:z D:yz P:z D:xy D:xy D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.402 -6.402 -4.411 -4.411 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80 1.33 1.00 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">15 2 15 2 17 4 13 8 16 3 13 8 2 15 18 5 18 5 14 1 69 100 44 2 15 14 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W W W W W W W W O Tc O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.205</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">670</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">5.42 5.41 4.86 4.86 4.25 4.11 3.82 3.74 2.15 2.10 1.77 1.73 1.12 1.12 1.06 1.05 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">D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:x D:xy D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">10 20 7 12 13 8 9 19 8 13 9 19 86 13 8 9 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W 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">2.217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">671</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.50 8.42 6.83 6.75 2.10 2.07 2.05 2.01 1.40 1.35 1.32 1.32 1.28 1.27 1.27 1.26 1.22 1.17 1.17 1.16 1.16 1.15 1.15 1.13 1.04 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 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:yz D:yz D:xy D:xy D:xy D:xy D:xz D:xz P:z P:z P:z P:z P:z P:z D:xy D:yz P:z D:xz D:xz P:z D:xy D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 0.156 0.156</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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">20 10 12 7 10 20 12 7 8 13 53 80 94 87 84 89 13 13 50 19 9 55 8 8 20 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W O O O O O O W W O W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.233</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">672</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.29 5.28 5.24 5.22 4.83 4.82 4.01 3.99 3.59 3.57 2.98 2.93 2.61 2.57 2.57 2.56 2.40 2.39 2.26 2.26 1.94 1.92 1.91 1.91 1.80 1.79 1.73 1.73 1.43 1.42 1.36 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 2 2 2 2 2 2 3 3 2 2 2 3 3 2 3 3 3 3 3 1 3 1 3 3 2 2 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S S S S S S S S S S S S D:xz S D:xz S S S S S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 1.722 1.722 -6.402 1.722 1.722 1.722 1.722 1.722 -4.411 1.722 -4.411 1.722 1.722 -6.402 -6.402 1.722 1.722 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">17 4 2 15 20 10 3 16 20 10 5 18 8 2 15 13 17 4 3 16 5 4 18 17 8 13 12 7 7 12 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">673</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">11.29 11.21 6.70 6.66 5.73 5.64 4.25 4.22 3.49 3.43 2.96 2.94 2.73 2.67 2.65 2.61 2.54 2.49 2.25 2.18 1.98 1.90 1.60 1.59 1.59 1.55 1.54 1.47 -1.18 -1.18 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 3 3 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S S S S S S S S S S S S S S S P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 1.722 1.722 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 1.722 1.722 1.722 1.722 0.156 0.156 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">14 1 6 11 14 1 11 6 8 13 17 4 16 15 2 3 10 20 8 13 18 5 10 17 16 20 4 3 14 1 1</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 W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.373</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">674</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.36 5.71 5.18 3.24 3.21 3.13 2.97 2.74 2.72 2.47 2.36 2.05 2.04 1.98 1.90 1.87 -1.80 1.76 1.72 1.51 1.50 1.27 1.15 1.12 1.11 1.06 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 2 2 3 1 1 3 1 1 3 3 1 1 2 2 1 2 2 2 1 1 2 2 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S D:x2-y2 D:x2-y2 S D:xz D:xz S S D:xz D:xz S S D:x2-y2 P:x S S S D:x2-y2 S S P:y P:y S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.164 -5.732 -5.732 1.164 -4.411 -4.411 1.164 -4.411 -4.411 1.722 1.722 -4.411 -4.411 -6.402 -6.402 -6.750 -0.512 -6.402 -6.402 -6.581 -6.750 -6.402 -6.402 -10.027 -10.027 -6.581 -0.512</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 2.00 2.00 0.00 0.80 0.80 0.00 0.80 0.80 0.00 0.00 0.80 0.80 2.00 2.00 1.00 0.00 2.00 2.00 1.00 1.00 2.00 2.00 1.33 1.33 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">101 103 101 100 14 1 103 4 17 3 16 16 3 7 12 100 103 9 19 107 101 13 8 70 47 106 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc Tc Tc W W Tc W W W W W W W W Tc Tc W W H Tc W W O O H Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.406</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">675</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.31 11.25 4.03 3.92 3.79 3.67 2.74 2.11 2.10 2.03 1.95 1.95 1.53 1.40 1.35 1.21 1.19 1.16 1.13 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:yz D:yz P:y D:yz D:yz D:x2-y2 D:x2-y2 P:y D:yz D:yz P:y D:xz D:xz D:x2-y2 D:x2-y2 D:yz D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -10.027 -6.750 -6.750 -4.411 -4.411 -10.027 -4.411 -4.411 -10.027 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 1.33 1.00 1.00 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 11 13 8 86 102 103 8 13 85 19 9 93 19 9 6 11 7 12 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O Tc Tc W W O W W O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">676</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">6.56 6.56 5.36 5.28 3.33 3.29 3.27 3.26 2.83 2.81 2.71 2.71 2.68 2.63 2.55 2.54 2.22 2.20 1.73 1.73 1.34 1.32 1.32 1.32 1.20 1.17 1.09 1.09 1.08 1.08 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 3 1 1 3 1 1 3 3 3 1 1 2 1 1 2</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 D:yz D:yz S D:yz D:yz S S S D:xz D:xz S D:xz D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -4.411 -4.411 1.722 -4.411 -4.411 1.722 1.722 1.722 -4.411 -4.411 -6.402 -4.411 -4.411 -6.402</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 0.00 0.80 0.80 0.00 0.00 0.00 0.80 0.80 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">6 11 19 9 11 6 14 1 19 9 10 20 16 3 2 15 15 2 5 18 10 2 15 20 1 14 16 17 12 4 3 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.524</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">677</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.92 7.87 4.85 4.80 4.36 4.26 3.85 3.81 3.72 3.69 3.66 3.58 2.89 2.86 2.68 2.65 2.50 2.48 1.94 1.91 1.90 1.88 1.84 1.83 1.61 1.59 1.28 1.27 -1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 1 1 3 3 3 3 3 3 3 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S S S S S S S S S D:yz D:yz S S S S S S S S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -4.411 -4.411 1.722 1.722 1.722 1.722 1.722 1.722 1.722 1.722 -6.402 -6.402 4.546</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">12 7 19 9 18 5 20 10 8 13 12 7 16 3 17 4 5 18 4 17 10 20 9 19 13 8 15 2 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W W W W W W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">678</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.23 5.21 3.96 3.94 3.28 3.25 2.69 2.62 2.47 2.44 2.05 2.00 1.99 1.87 1.85 1.82 1.82 1.73 1.73 1.71 1.63 1.60 1.54 1.46 1.41 1.39 1.16 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 3 3 2 2 2 2 2 2 2 2 1 2 3 2 3 1 1 1 3 3 3 3 1 1 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz S S S S S S S S S S P:y S S S S D:xz D:xz D:yz S S S S D:yz D:yz S S D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.411 -4.411 1.722 1.722 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -6.402 -10.027 -6.402 1.722 -6.402 1.722 -4.411 -4.411 -6.750 1.722 1.722 1.722 1.722 -4.411 -4.411 1.722 1.722 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 1.33 2.00 0.00 2.00 0.00 0.80 0.80 1.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">2 15 3 16 12 7 18 5 11 6 19 9 28 16 5 3 18 3 16 100 15 2 12 7 5 18 6 11 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W O W W W W W W Tc W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">679</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.75 4.73 4.73 4.69 4.41 4.38 4.14 4.12 2.48 2.45 2.36 2.34 2.02 1.91 1.89 1.72 1.71 1.66 1.35 1.34 1.29 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xz D:xz D:xz D:xz S D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -5.732 -4.411 -4.411 -4.411 -4.411 1.164 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 0.80 0.80 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">5 15 18 2 5 18 15 2 3 16 17 4 100 3 16 17 4 100 41 45 98 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W Tc W W W W Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">680</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.90 8.17 7.18 3.97 3.96 3.94 3.86 2.70 2.61 1.93 1.92 1.92 1.90 1.81 1.80 1.73 1.33 1.09 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">2 1 1 3 1 1 3 3 3 1 1 1 2 2 3 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y D:yz D:yz S D:yz D:yz S S S P:y D:yz D:yz S S S S D:yz D:x2-y2 D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-5.665 -6.750 -6.750 1.722 -4.411 -4.411 1.722 1.722 1.722 -10.027 -4.411 -4.411 -6.402 -6.402 1.722 1.722 11.931 -4.411 -4.411 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 0.00 0.80 0.80 0.00 0.00 0.00 1.33 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">104 101 100 18 5 18 5 3 16 26 2 15 5 18 4 17 104 1 14 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">P Tc Tc W W W W W W O W W 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">2.733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">681</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.40 5.52 5.49 4.29 4.24 3.79 3.74 2.78 2.69 2.40 2.38 1.94 1.92 1.35 1.34 1.28 1.22 1.21 1.11 1.09 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 1 1 4 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz S S D:x2-y2 D:x2-y2 P:y P:y D:xy D:xy S P:z P:z S D:z2 D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.164 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -6.581 1.164 -6.750 -6.750 -10.027 -10.027 -4.411 -4.411 -5.732 -10.027 -10.027 12.074 -4.411 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.00 1.00 1.00 1.33 1.33 0.80 0.80 2.00 1.33 1.33 0.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">102 6 11 8 13 9 19 107 103 103 102 63 58 8 13 102 56 81 102 6 11 88 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W W W W W H Tc Tc Tc O O W W Tc O O Tc W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">682</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">4.19 3.85 3.79 3.39 3.36 3.13 3.10 2.77 2.75 2.61 2.56 1.67 1.64 1.39 1.34 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">D:yz D:xz D:xz D:xz D:xz D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.750 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">102 19 9 20 10 13 8 12 7 20 10 11 6 7 12 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">683</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.77 5.01 4.64 4.64 4.51 4.51 3.19 3.15 3.14 3.12 2.45 2.40 2.37 2.26 2.24 1.82 1.82 1.71 1.37 1.35 1.31 1.31 1.28 1.27 -1.21 1.19 1.13 1.13 1.12 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 3 1 1 1 1 1 1 1 1 3 1 1 1 1 2 1 1 1 1 1 1 3 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z S S S D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz D:x2-y2 P:y P:y S D:yz D:yz D:x2-y2 D:x2-y2 P:x D:xz D:xz P:y P:y P:y P:y S S D:xz S D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.665 -5.732 1.722 1.722 -4.411 -4.411 -4.411 -4.411 -4.411 -4.411 -10.027 -10.027 1.164 -4.411 -4.411 -4.411 -4.411 -5.665 -4.411 -4.411 -10.027 -10.027 -10.027 -10.027 1.164 -15.731 -4.411 -6.581 -4.411 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.00 2.00 0.80 1.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">104 103 14 1 1 14 16 4 3 17 47 70 103 17 4 16 3 104 17 4 29 62 33 66 100 104 14 107 1 62 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">P Tc W W W W W W W W O O Tc W W W W P W W O O O O Tc P W H W O O</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
